2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine

C16H19ClN2 — CID 112655632

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccncc1Cl)NC
InChIInChI=1S/C16H19ClN2/c1-3-12-6-4-5-7-14(12)16(18-2)10-13-8-9-19-11-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyJKTCLIPPWLPVIB-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine (PubChem CID 112655632) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
PubChem CID112655632
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccncc1Cl)NC
InChIInChI=1S/C16H19ClN2/c1-3-12-6-4-5-7-14(12)16(18-2)10-13-8-9-19-11-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyJKTCLIPPWLPVIB-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
CID 115984879
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655591
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine (CID 112655632) is 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine is CCc1ccccc1C(Cc1ccncc1Cl)NC.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The InChIKey is JKTCLIPPWLPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-12-6-4-5-7-14(12)16(18-2)10-13-8-9-19-11-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine has a molecular weight of 274.80 g/mol, XLogP of 3.80, 5 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-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 112655632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).