1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine

C10H13BrFN — CID 84737397

IUPAC1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-7(13-2)6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyFOGADTSQBUFHSF-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine

1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 84737397) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
PubChem CID84737397
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-7(13-2)6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyFOGADTSQBUFHSF-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine
CID 174262970
2-N-[(3-bromo-2-fluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345422

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine (CID 84737397) is 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine is CNC(C)Cc1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is FOGADTSQBUFHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-7(13-2)6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine?
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 246.12 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 84737397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).