8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23BrN2 — CID 62739604

IUPAC8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-2-9-18-12-10-13-7-8-14(11-12)19(13)16-6-4-3-5-15(16)17/h3-6,12-14,18H,2,7-11H2,1H3
InChIKeyGJMNNXCUYUEPJA-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.95
Rot. Bonds4

About 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739604) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739604
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-2-9-18-12-10-13-7-8-14(11-12)19(13)16-6-4-3-5-15(16)17/h3-6,12-14,18H,2,7-11H2,1H3
InChIKeyGJMNNXCUYUEPJA-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(2-bromophenyl)-N-propyl-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

Related Compounds

9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
2-methyl-6-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 107801539
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740382
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
4-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
CID 11624590

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739604) is 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1ccccc1Br.
What is the InChIKey of 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GJMNNXCUYUEPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-2-9-18-12-10-13-7-8-14(11-12)19(13)16-6-4-3-5-15(16)17/h3-6,12-14,18H,2,7-11H2,1H3.
What are the key properties of 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 323.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).