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

C10H13BrFN — CID 84803102

IUPAC3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
SMILESCc1ccc(Br)c(F)c1CCCN
InChIInChI=1S/C10H13BrFN/c1-7-4-5-9(11)10(12)8(7)3-2-6-13/h4-5H,2-3,6,13H2,1H3
InChIKeyIPXLCFSBQSQPHC-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.79
Rot. Bonds3

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

3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine (PubChem CID 84803102) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
PubChem CID84803102
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
SMILESCc1ccc(Br)c(F)c1CCCN
InChIInChI=1S/C10H13BrFN/c1-7-4-5-9(11)10(12)8(7)3-2-6-13/h4-5H,2-3,6,13H2,1H3
InChIKeyIPXLCFSBQSQPHC-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
4-(3-bromo-2,5,6-trifluorophenyl)butan-1-amine
CID 117115711
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865608

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine (CID 84803102) is 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine is Cc1ccc(Br)c(F)c1CCCN.
What is the InChIKey of 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
The InChIKey is IPXLCFSBQSQPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-7-4-5-9(11)10(12)8(7)3-2-6-13/h4-5H,2-3,6,13H2,1H3.
What are the key properties of 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine?
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine has a molecular weight of 246.12 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine is sourced from PubChem (CID 84803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).