N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

C16H19ClN2 — CID 105006456

IUPACN-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1cccc(C)c1Cl
InChIInChI=1S/C16H19ClN2/c1-4-19-16(14-10-18-9-8-11(14)2)13-7-5-6-12(3)15(13)17/h5-10,16,19H,4H2,1-3H3
InChIKeyPLMVRAGCOOMZSN-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105006456) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105006456
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1cccc(C)c1Cl
InChIInChI=1S/C16H19ClN2/c1-4-19-16(14-10-18-9-8-11(14)2)13-7-5-6-12(3)15(13)17/h5-10,16,19H,4H2,1-3H3
InChIKeyPLMVRAGCOOMZSN-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 115804806
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (CID 105006456) is N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cnccc1C)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is PLMVRAGCOOMZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-19-16(14-10-18-9-8-11(14)2)13-7-5-6-12(3)15(13)17/h5-10,16,19H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105006456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).