1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine

C16H16FNO — CID 123257125

IUPAC1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(-c2ccccc2C)cc1F
InChIInChI=1S/C16H16FNO/c1-11-6-4-5-7-14(11)13-8-9-15(16(17)10-13)12(2)18-19-3/h4-10,18H,2H2,1,3H3
InChIKeyXFDOCGKUWLZGEM-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine

1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine (PubChem CID 123257125) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine
PubChem CID123257125
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(-c2ccccc2C)cc1F
InChIInChI=1S/C16H16FNO/c1-11-6-4-5-7-14(11)13-8-9-15(16(17)10-13)12(2)18-19-3/h4-10,18H,2H2,1,3H3
InChIKeyXFDOCGKUWLZGEM-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.92
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

2-(2-Fluoro-6-phenylphenyl)butan-2-amine
CID 138970820
1-[2-(3-Fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
CID 18357519
1-[2-(2-Fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
CID 18357580
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine?
The IUPAC name of 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine (CID 123257125) is 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine.
What is the SMILES notation for 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine?
The canonical SMILES for 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine is C=C(NOC)c1ccc(-c2ccccc2C)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine?
The InChIKey is XFDOCGKUWLZGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-6-4-5-7-14(11)13-8-9-15(16(17)10-13)12(2)18-19-3/h4-10,18H,2H2,1,3H3.
What are the key properties of 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine?
1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine has a molecular weight of 257.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine is sourced from PubChem (CID 123257125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).