(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine

C17H18BrClFN — CID 67537218

IUPAC(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
SMILESCC[C@H](c1ccc(Cl)c(C)c1)C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H18BrClFN/c1-3-13(11-4-6-15(19)10(2)8-11)17(21)12-5-7-16(20)14(18)9-12/h4-9,13,17H,3,21H2,1-2H3/t13-,17?/m1/s1
InChIKeyVTVUXUZLUFPWRH-FWJOYPJLSA-N
MW370.69 g/mol
LogP5.74
Rot. Bonds4

About (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine

(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine (PubChem CID 67537218) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
PubChem CID67537218
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
SMILESCC[C@H](c1ccc(Cl)c(C)c1)C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H18BrClFN/c1-3-13(11-4-6-15(19)10(2)8-11)17(21)12-5-7-16(20)14(18)9-12/h4-9,13,17H,3,21H2,1-2H3/t13-,17?/m1/s1
InChIKeyVTVUXUZLUFPWRH-FWJOYPJLSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
3-(4-Chlorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 24258889
3-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2,6-dibromophenyl)-N-methylbutan-1-amine
CID 57025297
1-[3-Azido-1-(4-chlorophenyl)butan-2-yl]-3-bromo-5-fluorobenzene
CID 57438718
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 91389804
(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
CID 123279976
[2-bromo-4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134217805
[2-bromo-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134217814
[2-bromo-4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134217832
[2-bromo-4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134221963

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine?
The IUPAC name of (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine (CID 67537218) is (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine?
The canonical SMILES for (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine is CC[C@H](c1ccc(Cl)c(C)c1)C(N)c1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine?
The InChIKey is VTVUXUZLUFPWRH-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-13(11-4-6-15(19)10(2)8-11)17(21)12-5-7-16(20)14(18)9-12/h4-9,13,17H,3,21H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine?
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 67537218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).