N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C17H22N2 — CID 105023254

IUPACN-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-5-19-17(16-9-14(4)10-18-11-16)15-7-12(2)6-13(3)8-15/h6-11,17,19H,5H2,1-4H3
InChIKeyPEBDFZBWAHJNGX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105023254) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105023254
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-5-19-17(16-9-14(4)10-18-11-16)15-7-12(2)6-13(3)8-15/h6-11,17,19H,5H2,1-4H3
InChIKeyPEBDFZBWAHJNGX-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025798
N-[(5-methyl-3-pyridinyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113297212
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105183300
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 105023254) is N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is PEBDFZBWAHJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-19-17(16-9-14(4)10-18-11-16)15-7-12(2)6-13(3)8-15/h6-11,17,19H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).