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

C10H13BrFN — CID 117367099

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

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

2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine (PubChem CID 117367099) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
PubChem CID117367099
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
SMILESCc1ccc(F)c(Br)c1C(C)CN
InChIInChI=1S/C10H13BrFN/c1-6-3-4-8(12)10(11)9(6)7(2)5-13/h3-4,7H,5,13H2,1-2H3
InChIKeyHOZQIEDISYKGDS-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

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Related Compounds

2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
2-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113262
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
CID 117288685
3-bromo-2-(1-bromoethyl)-1-fluoro-4-methylbenzene
CID 130140556
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine (CID 117367099) is 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine is Cc1ccc(F)c(Br)c1C(C)CN.
What is the InChIKey of 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine?
The InChIKey is HOZQIEDISYKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-6-3-4-8(12)10(11)9(6)7(2)5-13/h3-4,7H,5,13H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine?
2-(2-bromo-3-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-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine is sourced from PubChem (CID 117367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).