2-(3-bromo-2,6-difluorophenyl)propan-1-amine

C9H10BrF2N — CID 106943854

IUPAC2-(3-bromo-2,6-difluorophenyl)propan-1-amine
SMILESCC(CN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H10BrF2N/c1-5(4-13)8-7(11)3-2-6(10)9(8)12/h2-3,5H,4,13H2,1H3
InChIKeyIJUFSTHIXACGRH-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-bromo-2,6-difluorophenyl)propan-1-amine

2-(3-bromo-2,6-difluorophenyl)propan-1-amine (PubChem CID 106943854) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)propan-1-amine
PubChem CID106943854
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name2-(3-bromo-2,6-difluorophenyl)propan-1-amine
SMILESCC(CN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H10BrF2N/c1-5(4-13)8-7(11)3-2-6(10)9(8)12/h2-3,5H,4,13H2,1H3
InChIKeyIJUFSTHIXACGRH-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
CID 117367099
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113262

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)propan-1-amine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)propan-1-amine (CID 106943854) is 2-(3-bromo-2,6-difluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)propan-1-amine is CC(CN)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)propan-1-amine?
The InChIKey is IJUFSTHIXACGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-5(4-13)8-7(11)3-2-6(10)9(8)12/h2-3,5H,4,13H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)propan-1-amine?
2-(3-bromo-2,6-difluorophenyl)propan-1-amine has a molecular weight of 250.09 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)propan-1-amine is sourced from PubChem (CID 106943854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).