8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23ClN2 — CID 62740213

IUPAC8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11(12-4-3-5-13(17)8-12)19-15-6-7-16(19)10-14(9-15)18-2/h3-5,8,11,14-16,18H,6-7,9-10H2,1-2H3
InChIKeyBUIWMQUHBJRYQI-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.62
Rot. Bonds3

About 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740213) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740213
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11(12-4-3-5-13(17)8-12)19-15-6-7-16(19)10-14(9-15)18-2/h3-5,8,11,14-16,18H,6-7,9-10H2,1-2H3
InChIKeyBUIWMQUHBJRYQI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764643
9-[1-(4-fluorophenyl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714352
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 61117976
3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 101101023
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740213) is 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C(C)c1cccc(Cl)c1.
What is the InChIKey of 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BUIWMQUHBJRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11(12-4-3-5-13(17)8-12)19-15-6-7-16(19)10-14(9-15)18-2/h3-5,8,11,14-16,18H,6-7,9-10H2,1-2H3.
What are the key properties of 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).