1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine

C14H11BrCl3N — CID 81296108

IUPAC1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrCl3N/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-11(16)13(18)5-8/h1-5,7,14H,6,19H2
InChIKeyBVXCQTYEIKVTLY-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.65
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine

1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 81296108) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID81296108
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrCl3N/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-11(16)13(18)5-8/h1-5,7,14H,6,19H2
InChIKeyBVXCQTYEIKVTLY-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

(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 81296108) is 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is BVXCQTYEIKVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-11(16)13(18)5-8/h1-5,7,14H,6,19H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(4-bromo-3-chlorophenyl)-2-(3,4-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 1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 81296108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).