2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine

C16H17BrFN — CID 114347080

IUPAC2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(C)(N)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-9-13(18)8-7-12(11)10-16(2,19)14-5-3-4-6-15(14)17/h3-9H,10,19H2,1-2H3
InChIKeyQFZFXDFJWBFPNQ-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine

2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114347080) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114347080
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(C)(N)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-9-13(18)8-7-12(11)10-16(2,19)14-5-3-4-6-15(14)17/h3-9H,10,19H2,1-2H3
InChIKeyQFZFXDFJWBFPNQ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62197982
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
1-(3-bromo-4-fluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 63408536
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114347080) is 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine is Cc1cc(F)ccc1CC(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is QFZFXDFJWBFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-9-13(18)8-7-12(11)10-16(2,19)14-5-3-4-6-15(14)17/h3-9H,10,19H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).