2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine

C14H11Cl4N — CID 134630524

IUPAC2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-10-3-1-2-8(6-7-19)12(10)9-4-5-11(16)14(18)13(9)17/h1-5H,6-7,19H2
InChIKeyYBEXMZJTESMFHP-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.47
Rot. Bonds3

About 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine

2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine (PubChem CID 134630524) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
PubChem CID134630524
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-10-3-1-2-8(6-7-19)12(10)9-4-5-11(16)14(18)13(9)17/h1-5H,6-7,19H2
InChIKeyYBEXMZJTESMFHP-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
CID 134630613
2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
CID 118840486
2-(2,3,4-trichlorophenyl)ethanamine
CID 23356568
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835
3,4,5-trichlorofluoren-9-one
CID 82579530
1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
CID 57156270
1,2,3-trichloro-4-[3-(chloromethyl)-2-fluorophenyl]benzene
CID 134622332
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 114069962

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine (CID 134630524) is 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine is NCCc1cccc(Cl)c1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The InChIKey is YBEXMZJTESMFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c15-10-3-1-2-8(6-7-19)12(10)9-4-5-11(16)14(18)13(9)17/h1-5H,6-7,19H2.
What are the key properties of 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine has a molecular weight of 335.06 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 134630524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).