(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine

C11H15NO — CID 57142465

IUPAC(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine
SMILESC/C=C(/NOC)c1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-4-11(12-13-3)10-7-5-9(2)6-8-10/h4-8,12H,1-3H3/b11-4+
InChIKeyCHQNHDJJRKVHSU-NYYWCZLTSA-N
MW177.25 g/mol
LogP2.51
Rot. Bonds3

About (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine

(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine (PubChem CID 57142465) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine
PubChem CID57142465
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine
SMILESC/C=C(/NOC)c1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-4-11(12-13-3)10-7-5-9(2)6-8-10/h4-8,12H,1-3H3/b11-4+
InChIKeyCHQNHDJJRKVHSU-NYYWCZLTSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
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Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
1-(2-Fluorophenyl)-N-methoxymethanamine
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o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
[(E)-1-nitroprop-1-enyl]benzene
CID 5382473
Phenylnitropropene
CID 285038
(Z)-3-amino-3-(4-methylphenyl)prop-2-enenitrile
CID 5524788
(1Z)-1-phenylbuta-1,3-dien-1-amine
CID 10374575
(S)-O-methyl-N-(1-phenylethyl)hydroxylamine
CID 11073598

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine?
The IUPAC name of (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine (CID 57142465) is (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine is C/C=C(/NOC)c1ccc(C)cc1.
What is the InChIKey of (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine?
The InChIKey is CHQNHDJJRKVHSU-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-11(12-13-3)10-7-5-9(2)6-8-10/h4-8,12H,1-3H3/b11-4+.
What are the key properties of (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine?
(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 57142465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).