8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H21ClN2 — CID 62739478

IUPAC8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2/c1-10-7-11(16)3-6-15(10)18-13-4-5-14(18)9-12(8-13)17-2/h3,6-7,12-14,17H,4-5,8-9H2,1-2H3
InChIKeyPILYODNDODZICI-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.37
Rot. Bonds2

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

8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739478) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739478
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2/c1-10-7-11(16)3-6-15(10)18-13-4-5-14(18)9-12(8-13)17-2/h3,6-7,12-14,17H,4-5,8-9H2,1-2H3
InChIKeyPILYODNDODZICI-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739478) is 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc(Cl)cc1C.
What is the InChIKey of 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PILYODNDODZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10-7-11(16)3-6-15(10)18-13-4-5-14(18)9-12(8-13)17-2/h3,6-7,12-14,17H,4-5,8-9H2,1-2H3.
What are the key properties of 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 264.80 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).