8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23ClN2 — CID 55107251

IUPAC8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-18-14-10-15-6-7-16(11-14)19(15)9-8-12-2-4-13(17)5-3-12/h2-5,14-16,18H,6-11H2,1H3
InChIKeyRKDRMOTZMMMQBM-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.10
Rot. Bonds4

About 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55107251) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55107251
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-18-14-10-15-6-7-16(11-14)19(15)9-8-12-2-4-13(17)5-3-12/h2-5,14-16,18H,6-11H2,1H3
InChIKeyRKDRMOTZMMMQBM-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54976190
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
8-[2-(4-chlorophenyl)ethyl]-3-(difluoromethylidene)-8-azabicyclo[3.2.1]octane
CID 155515532
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107853817
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55107251) is 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCc1ccc(Cl)cc1.
What is the InChIKey of 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RKDRMOTZMMMQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-18-14-10-15-6-7-16(11-14)19(15)9-8-12-2-4-13(17)5-3-12/h2-5,14-16,18H,6-11H2,1H3.
What are the key properties of 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55107251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).