1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine

C15H18N2 — CID 113469756

IUPAC1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(-c2cncc(CNC)c2)c1
InChIInChI=1S/C15H18N2/c1-3-12-5-4-6-14(7-12)15-8-13(9-16-2)10-17-11-15/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyVRDXWGSBXVLZLT-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.03
Rot. Bonds4

About 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine

1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 113469756) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID113469756
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(-c2cncc(CNC)c2)c1
InChIInChI=1S/C15H18N2/c1-3-12-5-4-6-14(7-12)15-8-13(9-16-2)10-17-11-15/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyVRDXWGSBXVLZLT-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496
1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 107514107
4-(3-ethylphenyl)-N-methylpyridin-2-amine
CID 123399448
1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
CID 167816225
1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine (CID 113469756) is 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine is CCc1cccc(-c2cncc(CNC)c2)c1.
What is the InChIKey of 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is VRDXWGSBXVLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-5-4-6-14(7-12)15-8-13(9-16-2)10-17-11-15/h4-8,10-11,16H,3,9H2,1-2H3.
What are the key properties of 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine?
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113469756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).