2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine

C18H25ClN2 — CID 165410059

IUPAC2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine
SMILESCCNC.Cc1ccc(Cl)cc1CCc1ncccc1C
InChIInChI=1S/C15H16ClN.C3H9N/c1-11-5-7-14(16)10-13(11)6-8-15-12(2)4-3-9-17-15;1-3-4-2/h3-5,7,9-10H,6,8H2,1-2H3;4H,3H2,1-2H3
InChIKeyJCVISCFVQRWJJL-UHFFFAOYSA-N
MW304.87 g/mol
LogP4.36
Rot. Bonds4

About 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine

2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine (PubChem CID 165410059) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine
PubChem CID165410059
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine
SMILESCCNC.Cc1ccc(Cl)cc1CCc1ncccc1C
InChIInChI=1S/C15H16ClN.C3H9N/c1-11-5-7-14(16)10-13(11)6-8-15-12(2)4-3-9-17-15;1-3-4-2/h3-5,7,9-10H,6,8H2,1-2H3;4H,3H2,1-2H3
InChIKeyJCVISCFVQRWJJL-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
CID 167169233
azane;2-butyl-3-methylpyridine
CID 175305988
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine
CID 167169123
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
4-chloro-2-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 55204625
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950009
N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 112651274
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine?
The IUPAC name of 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine (CID 165410059) is 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine.
What is the SMILES notation for 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine?
The canonical SMILES for 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine is CCNC.Cc1ccc(Cl)cc1CCc1ncccc1C.
What is the InChIKey of 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine?
The InChIKey is JCVISCFVQRWJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN.C3H9N/c1-11-5-7-14(16)10-13(11)6-8-15-12(2)4-3-9-17-15;1-3-4-2/h3-5,7,9-10H,6,8H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine?
2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine has a molecular weight of 304.87 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine is sourced from PubChem (CID 165410059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).