1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine

C15H23N — CID 105005528

IUPAC1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccc(C)cc1C
InChIInChI=1S/C15H23N/c1-6-9-16-15(11(2)3)14-8-7-12(4)10-13(14)5/h7-8,10,15-16H,2,6,9H2,1,3-5H3
InChIKeyOMLYRHHVFURYSK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine

1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105005528) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID105005528
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccc(C)cc1C
InChIInChI=1S/C15H23N/c1-6-9-16-15(11(2)3)14-8-7-12(4)10-13(14)5/h7-8,10,15-16H,2,6,9H2,1,3-5H3
InChIKeyOMLYRHHVFURYSK-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
1-(4-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005047
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine (CID 105005528) is 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is OMLYRHHVFURYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-9-16-15(11(2)3)14-8-7-12(4)10-13(14)5/h7-8,10,15-16H,2,6,9H2,1,3-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine?
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).