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

C15H17ClN2 — CID 105109629

IUPAC1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccncc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-18-9-14(13)16/h3-7,9,15H,8,17H2,1-2H3
InChIKeyIYEFNILFLWMQIX-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.59
Rot. Bonds3

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

1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 105109629) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID105109629
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccncc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-18-9-14(13)16/h3-7,9,15H,8,17H2,1-2H3
InChIKeyIYEFNILFLWMQIX-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-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine (CID 105109629) is 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)c2ccncc2Cl)cc1C.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is IYEFNILFLWMQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-18-9-14(13)16/h3-7,9,15H,8,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(3-chloro-4-pyridinyl)-2-(3,4-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 1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 105109629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).