(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine

C15H20BrN — CID 107982012

IUPAC(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
SMILESCc1cccc(C(N)C2=CCCCCC2)c1Br
InChIInChI=1S/C15H20BrN/c1-11-7-6-10-13(14(11)16)15(17)12-8-4-2-3-5-9-12/h6-8,10,15H,2-5,9,17H2,1H3
InChIKeyUYIREWZQWZOZJI-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.65
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine

(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine (PubChem CID 107982012) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
PubChem CID107982012
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
SMILESCc1cccc(C(N)C2=CCCCCC2)c1Br
InChIInChI=1S/C15H20BrN/c1-11-7-6-10-13(14(11)16)15(17)12-8-4-2-3-5-9-12/h6-8,10,15H,2-5,9,17H2,1H3
InChIKeyUYIREWZQWZOZJI-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2-bromo-3-methylphenyl)-(cyclohepten-1-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-bromo-3-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 107982009
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine (CID 107982012) is (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine is Cc1cccc(C(N)C2=CCCCCC2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine?
The InChIKey is UYIREWZQWZOZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11-7-6-10-13(14(11)16)15(17)12-8-4-2-3-5-9-12/h6-8,10,15H,2-5,9,17H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine?
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine has a molecular weight of 294.24 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine is sourced from PubChem (CID 107982012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).