2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine

C10H13BrFN — CID 84803107

IUPAC2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
SMILESCc1ccc(Br)c(F)c1C(C)CN
InChIInChI=1S/C10H13BrFN/c1-6-3-4-8(11)10(12)9(6)7(2)5-13/h3-4,7H,5,13H2,1-2H3
InChIKeyIRUIERKCFKNNGO-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine

2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine (PubChem CID 84803107) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
PubChem CID84803107
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
SMILESCc1ccc(Br)c(F)c1C(C)CN
InChIInChI=1S/C10H13BrFN/c1-6-3-4-8(11)10(12)9(6)7(2)5-13/h3-4,7H,5,13H2,1-2H3
InChIKeyIRUIERKCFKNNGO-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-2-fluoro-6-methylphenyl)propan-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

2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
CID 117367099
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid
CID 84810828
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
2-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113262
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
CID 117288685
2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol
CID 83903850
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine (CID 84803107) is 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine is Cc1ccc(Br)c(F)c1C(C)CN.
What is the InChIKey of 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The InChIKey is IRUIERKCFKNNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-6-3-4-8(11)10(12)9(6)7(2)5-13/h3-4,7H,5,13H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine has a molecular weight of 246.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine is sourced from PubChem (CID 84803107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).