N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H25ClN2 — CID 65471035

IUPACN-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(NC1CC2CCCC(C1)N2C)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2/c1-12(16-8-3-4-9-17(16)18)19-13-10-14-6-5-7-15(11-13)20(14)2/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3
InChIKeyVVSARWMLNWEOTF-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471035) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471035
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(NC1CC2CCCC(C1)N2C)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2/c1-12(16-8-3-4-9-17(16)18)19-13-10-14-6-5-7-15(11-13)20(14)2/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3
InChIKeyVVSARWMLNWEOTF-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103786746
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43081366
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471035) is N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CC(NC1CC2CCCC(C1)N2C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VVSARWMLNWEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12(16-8-3-4-9-17(16)18)19-13-10-14-6-5-7-15(11-13)20(14)2/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.85 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).