1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine

C16H19ClN2 — CID 105091774

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19-16(14-8-9-18-11-15(14)17)10-13-7-5-4-6-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyWHBCHOGZCBFTSC-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.94
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine

1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 105091774) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID105091774
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19-16(14-8-9-18-11-15(14)17)10-13-7-5-4-6-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyWHBCHOGZCBFTSC-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
[1-(3-chloro-4-pyridinyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287759

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 105091774) is 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is WHBCHOGZCBFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-19-16(14-8-9-18-11-15(14)17)10-13-7-5-4-6-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 274.80 g/mol, XLogP of 3.94, 5 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)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 105091774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).