[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine

C16H23BrN2 — CID 66481295

IUPAC[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESCc1cc(C2C(CN)CCCN2C2CC2)ccc1Br
InChIInChI=1S/C16H23BrN2/c1-11-9-12(4-7-15(11)17)16-13(10-18)3-2-8-19(16)14-5-6-14/h4,7,9,13-14,16H,2-3,5-6,8,10,18H2,1H3
InChIKeyLHBKNUJHEIYBSO-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.63
Rot. Bonds3

About [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine

[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine (PubChem CID 66481295) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
PubChem CID66481295
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESCc1cc(C2C(CN)CCCN2C2CC2)ccc1Br
InChIInChI=1S/C16H23BrN2/c1-11-9-12(4-7-15(11)17)16-13(10-18)3-2-8-19(16)14-5-6-14/h4,7,9,13-14,16H,2-3,5-6,8,10,18H2,1H3
InChIKeyLHBKNUJHEIYBSO-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine 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

[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
CID 66478713
6-amino-7-(4-bromo-3-methylphenyl)-1-cyclopropylazepan-2-one
CID 66480106
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 114488890

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine (CID 66481295) is [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine is Cc1cc(C2C(CN)CCCN2C2CC2)ccc1Br.
What is the InChIKey of [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The InChIKey is LHBKNUJHEIYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-11-9-12(4-7-15(11)17)16-13(10-18)3-2-8-19(16)14-5-6-14/h4,7,9,13-14,16H,2-3,5-6,8,10,18H2,1H3.
What are the key properties of [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine has a molecular weight of 323.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine is sourced from PubChem (CID 66481295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).