1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine

C15H18N2 — CID 115799898

IUPAC1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCc1ccccc1C(NC)c1cccnc1
InChIInChI=1S/C15H18N2/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-11,15-16H,3H2,1-2H3
InChIKeyDIVCKGISZXOMJC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.95
Rot. Bonds4

About 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine

1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 115799898) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID115799898
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCc1ccccc1C(NC)c1cccnc1
InChIInChI=1S/C15H18N2/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-11,15-16H,3H2,1-2H3
InChIKeyDIVCKGISZXOMJC-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006641
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589047
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine (CID 115799898) is 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine is CCc1ccccc1C(NC)c1cccnc1.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is DIVCKGISZXOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-11,15-16H,3H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine?
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).