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

C14H19ClN2 — CID 55106091

IUPAC8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-16-11-8-13-6-7-14(9-11)17(13)12-4-2-10(15)3-5-12/h2-5,11,13-14,16H,6-9H2,1H3
InChIKeyHNUGNCQJSVOTNR-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.06
Rot. Bonds2

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

8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106091) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106091
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-16-11-8-13-6-7-14(9-11)17(13)12-4-2-10(15)3-5-12/h2-5,11,13-14,16H,6-9H2,1H3
InChIKeyHNUGNCQJSVOTNR-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55106091) is 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HNUGNCQJSVOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-16-11-8-13-6-7-14(9-11)17(13)12-4-2-10(15)3-5-12/h2-5,11,13-14,16H,6-9H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.77 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).