N-methoxy-1-phenylethenamine

C9H11NO — CID 57019938

IUPACN-methoxy-1-phenylethenamine
SMILESC=C(NOC)c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3
InChIKeyFUJGKSNKTQHPQX-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.81
Rot. Bonds3

About N-methoxy-1-phenylethenamine

N-methoxy-1-phenylethenamine (PubChem CID 57019938) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methoxy-1-phenylethenamine.

Molecular Properties

Compound NameN-methoxy-1-phenylethenamine
PubChem CID57019938
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methoxy-1-phenylethenamine
SMILESC=C(NOC)c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3
InChIKeyFUJGKSNKTQHPQX-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.81
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

(1-Nitroethenyl)benzene
CID 79604
Aminocinnamonitrile
CID 1711920
N-(1-phenylethyl)hydroxylamine
CID 11126318
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
N-methoxy-1-phenylpropan-2-amine
CID 199112
Benzyl(methoxy)amine hydrochloride
CID 71358116
(Z)-3-amino-3-phenyl-2-propenenitrile
CID 74575
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylethenamine?
The IUPAC name of N-methoxy-1-phenylethenamine (CID 57019938) is N-methoxy-1-phenylethenamine.
What is the SMILES notation for N-methoxy-1-phenylethenamine?
The canonical SMILES for N-methoxy-1-phenylethenamine is C=C(NOC)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenylethenamine?
The InChIKey is FUJGKSNKTQHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3.
What are the key properties of N-methoxy-1-phenylethenamine?
N-methoxy-1-phenylethenamine has a molecular weight of 149.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylethenamine is sourced from PubChem (CID 57019938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).