3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane

C168H194Br3F3N10O6 — CID 159420070

IUPAC3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane
SMILESC.C.C.C.C.Cc1ccccc1C(c1ccccc1)N1C2CCC1CC(O)(c1ccccc1CN)C2.Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1CN)C2.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Br)c1ccccc1Br.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1F)c1ccccc1F.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1Br.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1F
InChIInChI=1S/C29H34N2O.C28H32N2O.C27H28Br2N2O.C27H28F2N2O.C26H26BrNO.C26H26FNO.5CH4/c1-20-9-3-6-12-25(20)28(26-13-7-4-10-21(26)2)31-23-15-16-24(31)18-29(32,17-23)27-14-8-5-11-22(27)19-30;1-20-9-5-7-13-25(20)27(21-10-3-2-4-11-21)30-23-15-16-24(30)18-28(31,17-23)26-14-8-6-12-22(26)19-29;2*28-24-11-5-2-8-21(24)26(22-9-3-6-12-25(22)29)31-19-13-14-20(31)16-27(32,15-19)23-10-4-1-7-18(23)17-30;2*27-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)28-21-15-16-22(28)18-26(29,17-21)20-11-5-2-6-12-20;;;;;/h3-14,23-24,28,32H,15-19,30H2,1-2H3;2-14,23-24,27,31H,15-19,29H2,1H3;2*1-12,19-20,26,32H,13-17,30H2;2*1-14,21-22,25,29H,15-18H2;5*1H4
InChIKeyLPQPXKUSKLEONT-UHFFFAOYSA-N
MW2746.17 g/mol
LogP36.39
Rot. Bonds28

About 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane

3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane (PubChem CID 159420070) has the molecular formula C168H194Br3F3N10O6 and a molecular weight of 2746.17 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane
PubChem CID159420070
Molecular FormulaC168H194Br3F3N10O6
Molecular Weight2746.17 g/mol
Exact Mass2741.27
IUPAC Name3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane
SMILESC.C.C.C.C.Cc1ccccc1C(c1ccccc1)N1C2CCC1CC(O)(c1ccccc1CN)C2.Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1CN)C2.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Br)c1ccccc1Br.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1F)c1ccccc1F.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1Br.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1F
InChIInChI=1S/C29H34N2O.C28H32N2O.C27H28Br2N2O.C27H28F2N2O.C26H26BrNO.C26H26FNO.5CH4/c1-20-9-3-6-12-25(20)28(26-13-7-4-10-21(26)2)31-23-15-16-24(31)18-29(32,17-23)27-14-8-5-11-22(27)19-30;1-20-9-5-7-13-25(20)27(21-10-3-2-4-11-21)30-23-15-16-24(30)18-28(31,17-23)26-14-8-6-12-22(26)19-29;2*28-24-11-5-2-8-21(24)26(22-9-3-6-12-25(22)29)31-19-13-14-20(31)16-27(32,15-19)23-10-4-1-7-18(23)17-30;2*27-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)28-21-15-16-22(28)18-26(29,17-21)20-11-5-2-6-12-20;;;;;/h3-14,23-24,28,32H,15-19,30H2,1-2H3;2-14,23-24,27,31H,15-19,29H2,1H3;2*1-12,19-20,26,32H,13-17,30H2;2*1-14,21-22,25,29H,15-18H2;5*1H4
InChIKeyLPQPXKUSKLEONT-UHFFFAOYSA-N
XLogP36.39
TPSA244.90 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.17
LogP ≤ 536.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane with MolForge

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Related Compounds

4-[2-(aminomethyl)phenyl]-1-[bis(2-bromophenyl)methyl]piperidin-4-ol;4-[2-(aminomethyl)phenyl]-1-[bis(2-chlorophenyl)methyl]piperidin-4-ol;4-[2-(aminomethyl)phenyl]-1-[bis(2-fluorophenyl)methyl]piperidin-4-ol;bis(8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol);1-[bis(2-chlorophenyl)methyl]-4-phenylpiperidin-4-ol;8-[1-(2-chlorophenyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)pentyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[(2-methylphenyl)-phenylmethyl]-4-phenylpiperidin-4-ol
CID 158369911
8-[bis(2-methylphenyl)methyl]-3-(2-ethylphenyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 176878510
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947
(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51501822
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
3-(2-fluorophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3836304
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959060
[1-(2-bromophenyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105208622

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane (CID 159420070) is 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane is C.C.C.C.C.Cc1ccccc1C(c1ccccc1)N1C2CCC1CC(O)(c1ccccc1CN)C2.Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1CN)C2.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Br)c1ccccc1Br.NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1F)c1ccccc1F.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1Br.OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane?
The InChIKey is LPQPXKUSKLEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O.C28H32N2O.C27H28Br2N2O.C27H28F2N2O.C26H26BrNO.C26H26FNO.5CH4/c1-20-9-3-6-12-25(20)28(26-13-7-4-10-21(26)2)31-23-15-16-24(31)18-29(32,17-23)27-14-8-5-11-22(27)19-30;1-20-9-5-7-13-25(20)27(21-10-3-2-4-11-21)30-23-15-16-24(30)18-28(31,17-23)26-14-8-6-12-22(26)19-29;2*28-24-11-5-2-8-21(24)26(22-9-3-6-12-25(22)29)31-19-13-14-20(31)16-27(32,15-19)23-10-4-1-7-18(23)17-30;2*27-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)28-21-15-16-22(28)18-26(29,17-21)20-11-5-2-6-12-20;;;;;/h3-14,23-24,28,32H,15-19,30H2,1-2H3;2-14,23-24,27,31H,15-19,29H2,1H3;2*1-12,19-20,26,32H,13-17,30H2;2*1-14,21-22,25,29H,15-18H2;5*1H4.
What are the key properties of 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane?
3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane has a molecular weight of 2746.17 g/mol, XLogP of 36.39, 28 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-8-[bis(2-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[bis(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;3-[2-(aminomethyl)phenyl]-8-[(2-methylphenyl)-phenylmethyl]-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-bromophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;8-[(2-fluorophenyl)-phenylmethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;methane is sourced from PubChem (CID 159420070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).