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

C14H19ClN2 — CID 62739477

IUPAC8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(Cl)ccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2/c1-9-6-10(15)2-5-14(9)17-12-3-4-13(17)8-11(16)7-12/h2,5-6,11-13H,3-4,7-8,16H2,1H3
InChIKeyCDXXZVBOUSYQQO-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.11
Rot. Bonds1

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

8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739477) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739477
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(Cl)ccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2/c1-9-6-10(15)2-5-14(9)17-12-3-4-13(17)8-11(16)7-12/h2,5-6,11-13H,3-4,7-8,16H2,1H3
InChIKeyCDXXZVBOUSYQQO-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.11
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)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739477) is 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cc(Cl)ccc1N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CDXXZVBOUSYQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9-6-10(15)2-5-14(9)17-12-3-4-13(17)8-11(16)7-12/h2,5-6,11-13H,3-4,7-8,16H2,1H3.
What are the key properties of 8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.77 g/mol, XLogP of 3.11, 1 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)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).