N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine

C17H22N2 — CID 63554015

IUPACN-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)n1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-5-18-17(16-11-7-9-13(3)19-16)15-10-6-8-12(2)14(15)4/h6-11,17-18H,5H2,1-4H3
InChIKeyCQVLTZHMFJDVQT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63554015) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63554015
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)n1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-5-18-17(16-11-7-9-13(3)19-16)15-10-6-8-12(2)14(15)4/h6-11,17-18H,5H2,1-4H3
InChIKeyCQVLTZHMFJDVQT-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-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55221471
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140593
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
CID 105094633
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 106691892
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(5-methyl-3-pyridinyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113297212

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine (CID 63554015) is N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1cccc(C)n1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is CQVLTZHMFJDVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-18-17(16-11-7-9-13(3)19-16)15-10-6-8-12(2)14(15)4/h6-11,17-18H,5H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(6-methyl-2-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-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63554015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).