2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine

C14H11Cl4N — CID 118840486

IUPAC2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-1-2-10(8(7-9)5-6-19)11-3-4-12(16)14(18)13(11)17/h1-4,7H,5-6,19H2
InChIKeyKETHSQVOIZGTAQ-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.47
Rot. Bonds3

About 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine

2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine (PubChem CID 118840486) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
PubChem CID118840486
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-1-2-10(8(7-9)5-6-19)11-3-4-12(16)14(18)13(11)17/h1-4,7H,5-6,19H2
InChIKeyKETHSQVOIZGTAQ-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-(2,3,4-trichlorophenyl)ethanamine
CID 23356568
2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
CID 134630524
5-chloro-2-(2,3,4-trichlorophenyl)benzamide
CID 118834866
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
CID 79597387
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine (CID 118840486) is 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine is NCCc1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
The InChIKey is KETHSQVOIZGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c15-9-1-2-10(8(7-9)5-6-19)11-3-4-12(16)14(18)13(11)17/h1-4,7H,5-6,19H2.
What are the key properties of 2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine?
2-[5-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-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 118840486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).