N-methoxy-1-(4-methylphenyl)ethenamine

C10H13NO — CID 56975753

IUPACN-methoxy-1-(4-methylphenyl)ethenamine
SMILESC=C(NOC)c1ccc(C)cc1
InChIInChI=1S/C10H13NO/c1-8-4-6-10(7-5-8)9(2)11-12-3/h4-7,11H,2H2,1,3H3
InChIKeyNUARLHLMOZCIFU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.12
Rot. Bonds3

About N-methoxy-1-(4-methylphenyl)ethenamine

N-methoxy-1-(4-methylphenyl)ethenamine (PubChem CID 56975753) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methoxy-1-(4-methylphenyl)ethenamine.

Molecular Properties

Compound NameN-methoxy-1-(4-methylphenyl)ethenamine
PubChem CID56975753
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-methoxy-1-(4-methylphenyl)ethenamine
SMILESC=C(NOC)c1ccc(C)cc1
InChIInChI=1S/C10H13NO/c1-8-4-6-10(7-5-8)9(2)11-12-3/h4-7,11H,2H2,1,3H3
InChIKeyNUARLHLMOZCIFU-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.12
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
Benzyl(methoxy)amine hydrochloride
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CID 12146886
Benzenemethanamine, 4-fluoro-N-methoxy-
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1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
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 N-methoxy-1-(4-methylphenyl)ethenamine?
The IUPAC name of N-methoxy-1-(4-methylphenyl)ethenamine (CID 56975753) is N-methoxy-1-(4-methylphenyl)ethenamine.
What is the SMILES notation for N-methoxy-1-(4-methylphenyl)ethenamine?
The canonical SMILES for N-methoxy-1-(4-methylphenyl)ethenamine is C=C(NOC)c1ccc(C)cc1.
What is the InChIKey of N-methoxy-1-(4-methylphenyl)ethenamine?
The InChIKey is NUARLHLMOZCIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-4-6-10(7-5-8)9(2)11-12-3/h4-7,11H,2H2,1,3H3.
What are the key properties of N-methoxy-1-(4-methylphenyl)ethenamine?
N-methoxy-1-(4-methylphenyl)ethenamine has a molecular weight of 163.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methylphenyl)ethenamine is sourced from PubChem (CID 56975753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).