2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine

C14H14F2N2O — CID 107259108

IUPAC2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCOc1cc(N(C)c2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C14H14F2N2O/c1-18(10-5-3-9(15)4-6-10)13-8-14(19-2)12(17)7-11(13)16/h3-8H,17H2,1-2H3
InChIKeyWJNWQFRKXIKIJO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.32
Rot. Bonds3

About 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine

2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine (PubChem CID 107259108) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine
PubChem CID107259108
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCOc1cc(N(C)c2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C14H14F2N2O/c1-18(10-5-3-9(15)4-6-10)13-8-14(19-2)12(17)7-11(13)16/h3-8H,17H2,1-2H3
InChIKeyWJNWQFRKXIKIJO-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
2-fluoro-5-methoxy-1-N-methyl-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 107258842
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
2-(4-amino-2-fluoro-5-methoxy-N-methylanilino)acetic acid
CID 107259139
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
CID 115124095
2-fluoro-5-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 107258801
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 107259012
4-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)benzonitrile
CID 63593061

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine (CID 107259108) is 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine is COc1cc(N(C)c2ccc(F)cc2)c(F)cc1N.
What is the InChIKey of 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine?
The InChIKey is WJNWQFRKXIKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-18(10-5-3-9(15)4-6-10)13-8-14(19-2)12(17)7-11(13)16/h3-8H,17H2,1-2H3.
What are the key properties of 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine?
2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 107259108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).