1-(2,4-difluorophenyl)-N-methoxyethenamine

C9H9F2NO — CID 57050334

IUPAC1-(2,4-difluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyGRGCTCBJOKOZBI-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.09
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methoxyethenamine

1-(2,4-difluorophenyl)-N-methoxyethenamine (PubChem CID 57050334) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methoxyethenamine
PubChem CID57050334
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-(2,4-difluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyGRGCTCBJOKOZBI-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.09
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(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
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
n-(4-Fluoro-2-trifluoromethyl-benzyl)-o-methyl-hydroxylamine
CID 23499553
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
(R)-N-(1-(2,4-difluorophenyl)ethyl)hydroxylamine
CID 130054510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methoxyethenamine (CID 57050334) is 1-(2,4-difluorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methoxyethenamine?
The InChIKey is GRGCTCBJOKOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methoxyethenamine?
1-(2,4-difluorophenyl)-N-methoxyethenamine has a molecular weight of 185.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 57050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).