1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine

C19H26N2 — CID 105145212

IUPAC1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccn1)c1ccc(C)cc1C
InChIInChI=1S/C19H26N2/c1-4-12-21-19(11-9-17-7-5-6-13-20-17)18-10-8-15(2)14-16(18)3/h5-8,10,13-14,19,21H,4,9,11-12H2,1-3H3
InChIKeyBBVHZHNDCHDDDP-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.37
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine

1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105145212) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105145212
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccn1)c1ccc(C)cc1C
InChIInChI=1S/C19H26N2/c1-4-12-21-19(11-9-17-7-5-6-13-20-17)18-10-8-15(2)14-16(18)3/h5-8,10,13-14,19,21H,4,9,11-12H2,1-3H3
InChIKeyBBVHZHNDCHDDDP-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 102841379
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
1-(3-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105092665
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine (CID 105145212) is 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine is CCCNC(CCc1ccccn1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is BBVHZHNDCHDDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-12-21-19(11-9-17-7-5-6-13-20-17)18-10-8-15(2)14-16(18)3/h5-8,10,13-14,19,21H,4,9,11-12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105145212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).