8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23BrN2 — CID 107639352

IUPAC8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc(Br)c1C
InChIInChI=1S/C16H23BrN2/c1-3-18-12-9-13-7-8-14(10-12)19(13)16-6-4-5-15(17)11(16)2/h4-6,12-14,18H,3,7-10H2,1-2H3
InChIKeyRLBLBIVWGRBGKQ-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.87
Rot. Bonds3

About 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107639352) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107639352
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc(Br)c1C
InChIInChI=1S/C16H23BrN2/c1-3-18-12-9-13-7-8-14(10-12)19(13)16-6-4-5-15(17)11(16)2/h4-6,12-14,18H,3,7-10H2,1-2H3
InChIKeyRLBLBIVWGRBGKQ-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107639352) is 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cccc(Br)c1C.
What is the InChIKey of 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RLBLBIVWGRBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-3-18-12-9-13-7-8-14(10-12)19(13)16-6-4-5-15(17)11(16)2/h4-6,12-14,18H,3,7-10H2,1-2H3.
What are the key properties of 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 323.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107639352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).