2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

C14H13Cl3N2 — CID 106868543

IUPAC2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl3N2/c1-8-2-3-9(11(16)4-8)5-13(18)14-12(17)6-10(15)7-19-14/h2-4,6-7,13H,5,18H2,1H3
InChIKeyWAUWJCYWBDXISQ-UHFFFAOYSA-N
MW315.63 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (PubChem CID 106868543) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
PubChem CID106868543
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl3N2/c1-8-2-3-9(11(16)4-8)5-13(18)14-12(17)6-10(15)7-19-14/h2-4,6-7,13H,5,18H2,1H3
InChIKeyWAUWJCYWBDXISQ-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
(3,5-dichloro-2-pyridinyl)-(2,4-dimethylphenyl)methanamine
CID 79780865
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
CID 106868578
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
CID 79016126
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (CID 106868543) is 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2ncc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The InChIKey is WAUWJCYWBDXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-8-2-3-9(11(16)4-8)5-13(18)14-12(17)6-10(15)7-19-14/h2-4,6-7,13H,5,18H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine has a molecular weight of 315.63 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 106868543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).