2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine

C16H16BrClFN — CID 63447083

IUPAC2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClFN/c1-16(2,12-4-6-13(17)7-5-12)20-10-11-3-8-14(18)15(19)9-11/h3-9,20H,10H2,1-2H3
InChIKeyCSLOLJXZZLMSIV-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.27
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine

2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine (PubChem CID 63447083) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine
PubChem CID63447083
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClFN/c1-16(2,12-4-6-13(17)7-5-12)20-10-11-3-8-14(18)15(19)9-11/h3-9,20H,10H2,1-2H3
InChIKeyCSLOLJXZZLMSIV-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789418
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43740761
2-(4-bromophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43740669
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
1-N-tert-butyl-2-N-[(4-chloro-3-fluorophenyl)methyl]propane-1,2-diamine
CID 107987670

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine (CID 63447083) is 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine is CC(C)(NCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is CSLOLJXZZLMSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-16(2,12-4-6-13(17)7-5-12)20-10-11-3-8-14(18)15(19)9-11/h3-9,20H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine?
2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 63447083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).