9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H25ClN2 — CID 62712587

IUPAC9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-2-19-15-10-16-7-4-8-17(11-15)20(16)12-13-5-3-6-14(18)9-13/h3,5-6,9,15-17,19H,2,4,7-8,10-12H2,1H3
InChIKeyKJRDIMVXPUJQJQ-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.84
Rot. Bonds4

About 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712587) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712587
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-2-19-15-10-16-7-4-8-17(11-15)20(16)12-13-5-3-6-14(18)9-13/h3,5-6,9,15-17,19H,2,4,7-8,10-12H2,1H3
InChIKeyKJRDIMVXPUJQJQ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712896
9-(4-chloro-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714697
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606153
N-ethyl-9-[2-(furan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713661
N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106421181
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712587) is 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2Cc1cccc(Cl)c1.
What is the InChIKey of 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KJRDIMVXPUJQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-19-15-10-16-7-4-8-17(11-15)20(16)12-13-5-3-6-14(18)9-13/h3,5-6,9,15-17,19H,2,4,7-8,10-12H2,1H3.
What are the key properties of 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).