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

C14H11BrCl2FN — CID 107885076

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

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

1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107885076) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107885076
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11BrCl2FN/c15-10-7-9(2-4-11(10)16)14(19)6-8-1-3-12(17)13(18)5-8/h1-5,7,14H,6,19H2
InChIKeyGOZYEBNLXBRSOT-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-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891519
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (CID 107885076) is 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is GOZYEBNLXBRSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-10-7-9(2-4-11(10)16)14(19)6-8-1-3-12(17)13(18)5-8/h1-5,7,14H,6,19H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-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-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107885076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).