1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine

C16H15F2NO — CID 123241366

IUPAC1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C16H15F2NO/c1-10-4-6-13(17)9-15(10)12-5-7-14(16(18)8-12)11(2)19-20-3/h4-9,19H,2H2,1,3H3
InChIKeyQNFQPAPQCYLTEA-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.06
Rot. Bonds4

About 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine

1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine (PubChem CID 123241366) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine
PubChem CID123241366
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C16H15F2NO/c1-10-4-6-13(17)9-15(10)12-5-7-14(16(18)8-12)11(2)19-20-3/h4-9,19H,2H2,1,3H3
InChIKeyQNFQPAPQCYLTEA-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.06
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

n-[Bis-(4-fluoro-phenyl)-methyl]-o-methyl-hydroxylamine
CID 22485636
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
N-(2-bromoethoxy)-1,2-bis(2-fluorophenyl)ethenamine
CID 57042642
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
N-(2-bromoethoxy)-1,2-bis(4-fluorophenyl)ethenamine
CID 57110229

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine?
The IUPAC name of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine (CID 123241366) is 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine.
What is the SMILES notation for 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine?
The canonical SMILES for 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine is C=C(NOC)c1ccc(-c2cc(F)ccc2C)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine?
The InChIKey is QNFQPAPQCYLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-10-4-6-13(17)9-15(10)12-5-7-14(16(18)8-12)11(2)19-20-3/h4-9,19H,2H2,1,3H3.
What are the key properties of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine?
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine has a molecular weight of 275.30 g/mol, XLogP of 4.06, 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-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine is sourced from PubChem (CID 123241366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).