N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine

C17H26N2 — CID 112681259

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H26N2/c1-3-18-17(13-7-5-4-6-8-13)14-11-15-9-10-16(12-14)19(15)2/h4-8,14-18H,3,9-12H2,1-2H3
InChIKeySMLNGUSGSMBXLA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.21
Rot. Bonds4

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine (PubChem CID 112681259) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
PubChem CID112681259
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H26N2/c1-3-18-17(13-7-5-4-6-8-13)14-11-15-9-10-16(12-14)19(15)2/h4-8,14-18H,3,9-12H2,1-2H3
InChIKeySMLNGUSGSMBXLA-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
[(4-ethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265871
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219
N-[2-adamantyl(phenyl)methyl]ethanamine
CID 81098673
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106462913
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine (CID 112681259) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine?
The InChIKey is SMLNGUSGSMBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-18-17(13-7-5-4-6-8-13)14-11-15-9-10-16(12-14)19(15)2/h4-8,14-18H,3,9-12H2,1-2H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine is sourced from PubChem (CID 112681259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).