2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine

C14H11BrCl3N — CID 105037869

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14H,5,19H2
InChIKeyBKWWJAPAKCXZBX-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.65
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 105037869) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID105037869
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14H,5,19H2
InChIKeyBKWWJAPAKCXZBX-UHFFFAOYSA-N
XLogP5.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 105037869) is 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is BKWWJAPAKCXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14H,5,19H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 379.51 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 105037869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).