1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine

C14H11BrCl2FN — CID 107995838

IUPAC1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrCl2FN/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14H,6,19H2
InChIKeyWAKMZAXWOSVPBL-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine

1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 107995838) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID107995838
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrCl2FN/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14H,6,19H2
InChIKeyWAKMZAXWOSVPBL-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine (CID 107995838) is 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is WAKMZAXWOSVPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14H,6,19H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine?
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 107995838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).