1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane

C95H136N6 — CID 162296110

IUPAC1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1N1C(C)C2(C)CC1(C)C(C)C2C.Cc1ccccc1N1C(C)C2(C)CC1(C)CC2C.Cc1ccccc1N1C(C)C2(C)CCC1(C)C2.Cc1ccccc1N1C(C)C2CCC1(C)C2.Cc1ccccc1N1C2CCC(C)(C2)C1C.Cc1ccccc1N1C2CCC(C2)C1C
InChIInChI=1S/C18H27N.C17H25N.C16H23N.2C15H21N.C14H19N/c1-12-9-7-8-10-16(12)19-15(4)17(5)11-18(19,6)14(3)13(17)2;1-12-8-6-7-9-15(12)18-14(3)17(5)11-16(18,4)10-13(17)2;1-12-7-5-6-8-14(12)17-13(2)15(3)9-10-16(17,4)11-15;1-11-6-4-5-7-14(11)16-12(2)15(3)9-8-13(16)10-15;1-11-6-4-5-7-14(11)16-12(2)13-8-9-15(16,3)10-13;1-10-5-3-4-6-14(10)15-11(2)12-7-8-13(15)9-12/h7-10,13-15H,11H2,1-6H3;6-9,13-14H,10-11H2,1-5H3;5-8,13H,9-11H2,1-4H3;2*4-7,12-13H,8-10H2,1-3H3;3-6,11-13H,7-9H2,1-2H3
InChIKeyPAMOPHJOJZMPQY-UHFFFAOYSA-N
MW1362.17 g/mol
LogP24.09
Rot. Bonds6

About 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane

1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 162296110) has the molecular formula C95H136N6 and a molecular weight of 1362.17 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane
PubChem CID162296110
Molecular FormulaC95H136N6
Molecular Weight1362.17 g/mol
Exact Mass1361.08
IUPAC Name1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1N1C(C)C2(C)CC1(C)C(C)C2C.Cc1ccccc1N1C(C)C2(C)CC1(C)CC2C.Cc1ccccc1N1C(C)C2(C)CCC1(C)C2.Cc1ccccc1N1C(C)C2CCC1(C)C2.Cc1ccccc1N1C2CCC(C)(C2)C1C.Cc1ccccc1N1C2CCC(C2)C1C
InChIInChI=1S/C18H27N.C17H25N.C16H23N.2C15H21N.C14H19N/c1-12-9-7-8-10-16(12)19-15(4)17(5)11-18(19,6)14(3)13(17)2;1-12-8-6-7-9-15(12)18-14(3)17(5)11-16(18,4)10-13(17)2;1-12-7-5-6-8-14(12)17-13(2)15(3)9-10-16(17,4)11-15;1-11-6-4-5-7-14(11)16-12(2)15(3)9-8-13(16)10-15;1-11-6-4-5-7-14(11)16-12(2)13-8-9-15(16,3)10-13;1-10-5-3-4-6-14(10)15-11(2)12-7-8-13(15)9-12/h7-10,13-15H,11H2,1-6H3;6-9,13-14H,10-11H2,1-5H3;5-8,13H,9-11H2,1-4H3;2*4-7,12-13H,8-10H2,1-3H3;3-6,11-13H,7-9H2,1-2H3
InChIKeyPAMOPHJOJZMPQY-UHFFFAOYSA-N
XLogP24.09
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.17
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

8-(1,3-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(10,11-dimethyl-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-9-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(3-methyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296094
(3S)-1,3,4,5,6-pentamethyl-2-(2,3,5-trimethylphenyl)-2-azabicyclo[2.2.1]heptane
CID 137454646
2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane
CID 162297052
(3S)-1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 137454517
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane
CID 162296136
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
CID 105454737
7,8-dimethyl-9-(2-methylphenyl)-3-thia-9-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 162296303
(8S)-7,8-dimethyl-9-(2-methylphenyl)-3-thia-9-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 137454915
3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296021
1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
CID 162295453

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane (CID 162296110) is 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane is Cc1ccccc1N1C(C)C2(C)CC1(C)C(C)C2C.Cc1ccccc1N1C(C)C2(C)CC1(C)CC2C.Cc1ccccc1N1C(C)C2(C)CCC1(C)C2.Cc1ccccc1N1C(C)C2CCC1(C)C2.Cc1ccccc1N1C2CCC(C)(C2)C1C.Cc1ccccc1N1C2CCC(C2)C1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is PAMOPHJOJZMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N.C17H25N.C16H23N.2C15H21N.C14H19N/c1-12-9-7-8-10-16(12)19-15(4)17(5)11-18(19,6)14(3)13(17)2;1-12-8-6-7-9-15(12)18-14(3)17(5)11-16(18,4)10-13(17)2;1-12-7-5-6-8-14(12)17-13(2)15(3)9-10-16(17,4)11-15;1-11-6-4-5-7-14(11)16-12(2)15(3)9-8-13(16)10-15;1-11-6-4-5-7-14(11)16-12(2)13-8-9-15(16,3)10-13;1-10-5-3-4-6-14(10)15-11(2)12-7-8-13(15)9-12/h7-10,13-15H,11H2,1-6H3;6-9,13-14H,10-11H2,1-5H3;5-8,13H,9-11H2,1-4H3;2*4-7,12-13H,8-10H2,1-3H3;3-6,11-13H,7-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane?
1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 1362.17 g/mol, XLogP of 24.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162296110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).