1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C17H22N2 — CID 105120431

IUPAC1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc(C)ccc1C
InChIInChI=1S/C17H22N2/c1-13-7-8-14(2)16(12-13)17(18-3)10-9-15-6-4-5-11-19-15/h4-8,11-12,17-18H,9-10H2,1-3H3
InChIKeyZKNLZLLLXVKCLP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105120431) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105120431
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc(C)ccc1C
InChIInChI=1S/C17H22N2/c1-13-7-8-14(2)16(12-13)17(18-3)10-9-15-6-4-5-11-19-15/h4-8,11-12,17-18H,9-10H2,1-3H3
InChIKeyZKNLZLLLXVKCLP-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105145212
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105143030
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
[1-(2-methylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 105286070
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105120431) is 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is ZKNLZLLLXVKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-8-14(2)16(12-13)17(18-3)10-9-15-6-4-5-11-19-15/h4-8,11-12,17-18H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105120431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).