N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine

C12H16BrN — CID 115556760

IUPACN-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1ccc(CNC2CC2C)c(Br)c1
InChIInChI=1S/C12H16BrN/c1-8-3-4-10(11(13)5-8)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7H2,1-2H3
InChIKeyFLFOQYQKMUDURZ-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.26
Rot. Bonds3

About N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine

N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 115556760) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID115556760
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1ccc(CNC2CC2C)c(Br)c1
InChIInChI=1S/C12H16BrN/c1-8-3-4-10(11(13)5-8)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7H2,1-2H3
InChIKeyFLFOQYQKMUDURZ-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-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

tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
CID 107237817
N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010449
N-[(2-bromo-4-methylphenyl)methyl]-1-oxothian-4-amine
CID 113479750
N-[(2-bromo-4-methylphenyl)methyl]thiolan-3-amine
CID 103845115
N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 115556593
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64923688
2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
CID 115556791
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
2-[(2-bromo-4-methylphenyl)methylamino]propane-1,3-diol
CID 75525246

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine (CID 115556760) is N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine is Cc1ccc(CNC2CC2C)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is FLFOQYQKMUDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-3-4-10(11(13)5-8)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 115556760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).