1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine

C13H18BrN — CID 103735964

IUPAC1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2Br)CCC1
InChIInChI=1S/C13H18BrN/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3
InChIKeyPXSKLUSTUIAMMI-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine

1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 103735964) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID103735964
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2Br)CCC1
InChIInChI=1S/C13H18BrN/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3
InChIKeyPXSKLUSTUIAMMI-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]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-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094772
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685
N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365185
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
N-[2-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103834517
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 103735964) is 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine is CC1(CNCc2ccccc2Br)CCC1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is PXSKLUSTUIAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 268.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 103735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).