N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

C17H22N2 — CID 105140352

IUPACN-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cccnc1C
InChIInChI=1S/C17H22N2/c1-5-18-17(16-7-6-10-19-14(16)4)15-9-8-12(2)13(3)11-15/h6-11,17-18H,5H2,1-4H3
InChIKeyJXDYAZVZVHDQKS-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105140352) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105140352
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cccnc1C
InChIInChI=1S/C17H22N2/c1-5-18-17(16-7-6-10-19-14(16)4)15-9-8-12(2)13(3)11-15/h6-11,17-18H,5H2,1-4H3
InChIKeyJXDYAZVZVHDQKS-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-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (CID 105140352) is N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1cccnc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is JXDYAZVZVHDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-18-17(16-7-6-10-19-14(16)4)15-9-8-12(2)13(3)11-15/h6-11,17-18H,5H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3,4-dimethylphenyl)-(2-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-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105140352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).