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

C16H23ClN2 — CID 62739467

IUPAC8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-3-18-12-8-13-6-7-14(9-12)19(13)15-5-4-11(2)16(17)10-15/h4-5,10,12-14,18H,3,6-9H2,1-2H3
InChIKeyAULUKOSOQMORSY-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.76
Rot. Bonds3

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

8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739467) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739467
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-3-18-12-8-13-6-7-14(9-12)19(13)15-5-4-11(2)16(17)10-15/h4-5,10,12-14,18H,3,6-9H2,1-2H3
InChIKeyAULUKOSOQMORSY-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739467) is 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1ccc(C)c(Cl)c1.
What is the InChIKey of 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AULUKOSOQMORSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-3-18-12-8-13-6-7-14(9-12)19(13)15-5-4-11(2)16(17)10-15/h4-5,10,12-14,18H,3,6-9H2,1-2H3.
What are the key properties of 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).