1-(4-fluorophenyl)-N-methoxyethenamine

C9H10FNO — CID 90882872

IUPAC1-(4-fluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3
InChIKeyBDMPIYFHCZATSN-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methoxyethenamine

1-(4-fluorophenyl)-N-methoxyethenamine (PubChem CID 90882872) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxyethenamine
PubChem CID90882872
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(4-fluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3
InChIKeyBDMPIYFHCZATSN-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.95
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

3-Amino-3-(3-fluorophenyl)acrylonitrile
CID 12540166
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
(Z)-3-Amino-3-(4-fluorophenyl)acrylonitrile
CID 12218193
Benzyl(methoxy)amine hydrochloride
CID 71358116
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
N-[1-(4-fluorophenyl)ethyl]hydroxylamine
CID 13389032
N-[(4-fluorophenyl)methyl]hydroxylamine
CID 14157467
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxyethenamine (CID 90882872) is 1-(4-fluorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxyethenamine?
The InChIKey is BDMPIYFHCZATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxyethenamine?
1-(4-fluorophenyl)-N-methoxyethenamine has a molecular weight of 167.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 90882872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).