8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25ClN2 — CID 62739651

IUPAC8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccc(Cl)cc1C
InChIInChI=1S/C17H25ClN2/c1-3-8-19-14-10-15-5-6-16(11-14)20(15)17-7-4-13(18)9-12(17)2/h4,7,9,14-16,19H,3,5-6,8,10-11H2,1-2H3
InChIKeyVRBWOPRWFLGWON-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.15
Rot. Bonds4

About 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739651) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739651
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccc(Cl)cc1C
InChIInChI=1S/C17H25ClN2/c1-3-8-19-14-10-15-5-6-16(11-14)20(15)17-7-4-13(18)9-12(17)2/h4,7,9,14-16,19H,3,5-6,8,10-11H2,1-2H3
InChIKeyVRBWOPRWFLGWON-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-chloro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714698
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794
9-(4-chloro-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714697
8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739478
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
5-fluoro-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 82017052
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739651) is 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1ccc(Cl)cc1C.
What is the InChIKey of 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VRBWOPRWFLGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-8-19-14-10-15-5-6-16(11-14)20(15)17-7-4-13(18)9-12(17)2/h4,7,9,14-16,19H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 292.85 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).