1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

C15H14BrClFN — CID 107128285

IUPAC1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-3-4-10(7-14(9)18)15(2,19)12-6-5-11(16)8-13(12)17/h3-8H,19H2,1-2H3
InChIKeyFYKSPPCJNANLBS-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.77
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 107128285) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID107128285
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-3-4-10(7-14(9)18)15(2,19)12-6-5-11(16)8-13(12)17/h3-8H,19H2,1-2H3
InChIKeyFYKSPPCJNANLBS-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962
1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 82777912
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116543051
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
1-(4-bromophenyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55116362
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
CID 107559750
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
1-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820097
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 107128285) is 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1F.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is FYKSPPCJNANLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-3-4-10(7-14(9)18)15(2,19)12-6-5-11(16)8-13(12)17/h3-8H,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107128285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).