1-(3-methoxy-4-methylphenyl)-N-methylethenamine

C11H15NO — CID 143056515

IUPAC1-(3-methoxy-4-methylphenyl)-N-methylethenamine
SMILESC=C(NC)c1ccc(C)c(OC)c1
InChIInChI=1S/C11H15NO/c1-8-5-6-10(9(2)12-3)7-11(8)13-4/h5-7,12H,2H2,1,3-4H3
InChIKeyZYATWQVQJNRBOG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds3

About 1-(3-methoxy-4-methylphenyl)-N-methylethenamine

1-(3-methoxy-4-methylphenyl)-N-methylethenamine (PubChem CID 143056515) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-methylethenamine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-methylethenamine
PubChem CID143056515
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-methylethenamine
SMILESC=C(NC)c1ccc(C)c(OC)c1
InChIInChI=1S/C11H15NO/c1-8-5-6-10(9(2)12-3)7-11(8)13-4/h5-7,12H,2H2,1,3-4H3
InChIKeyZYATWQVQJNRBOG-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-methoxy-4-methylphenyl)ethenyl]benzenethiol
CID 166858262
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
CID 142928998
1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574
amino 3-methoxy-4-methylbenzoate
CID 175307316
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
3-chloro-3-(3-methoxy-4-methylphenyl)-2-phenylprop-2-enenitrile
CID 76922528
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
4-(3-methoxy-4-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727267
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 46626776
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-methylethenamine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-methylethenamine (CID 143056515) is 1-(3-methoxy-4-methylphenyl)-N-methylethenamine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-methylethenamine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-methylethenamine is C=C(NC)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-methylethenamine?
The InChIKey is ZYATWQVQJNRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-10(9(2)12-3)7-11(8)13-4/h5-7,12H,2H2,1,3-4H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-methylethenamine?
1-(3-methoxy-4-methylphenyl)-N-methylethenamine has a molecular weight of 177.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-methylethenamine is sourced from PubChem (CID 143056515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).