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

C15H17ClN2 — CID 112655409

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C15H17ClN2/c1-10-3-4-11(2)13(7-10)15(17)8-12-5-6-18-9-14(12)16/h3-7,9,15H,8,17H2,1-2H3
InChIKeyWLQFQVTZRZANGF-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.59
Rot. Bonds3

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

2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 112655409) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID112655409
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C15H17ClN2/c1-10-3-4-11(2)13(7-10)15(17)8-12-5-6-18-9-14(12)16/h3-7,9,15H,8,17H2,1-2H3
InChIKeyWLQFQVTZRZANGF-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
[1-(3-chloro-4-pyridinyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287759

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine (CID 112655409) is 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)Cc2ccncc2Cl)c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is WLQFQVTZRZANGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-3-4-11(2)13(7-10)15(17)8-12-5-6-18-9-14(12)16/h3-7,9,15H,8,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 112655409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).