1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine

C13H19N — CID 105005216

IUPAC1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19N/c1-9(2)13(14-5)12-7-6-10(3)11(4)8-12/h6-8,13-14H,1H2,2-5H3
InChIKeySTNNJACXMDLSOZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.14
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine

1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005216) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005216
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19N/c1-9(2)13(14-5)12-7-6-10(3)11(4)8-12/h6-8,13-14H,1H2,2-5H3
InChIKeySTNNJACXMDLSOZ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.14
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-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-(3-bromo-2-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005146
N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine
CID 105163770
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005245
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107946254
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine (CID 105005216) is 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is STNNJACXMDLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)13(14-5)12-7-6-10(3)11(4)8-12/h6-8,13-14H,1H2,2-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine?
1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).