4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine

C14H14F2N2O — CID 63599579

IUPAC4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2ccc(F)cc2C)c(N)cc1F
InChIInChI=1S/C14H14F2N2O/c1-8-5-9(15)3-4-12(8)18-13-7-14(19-2)10(16)6-11(13)17/h3-7,18H,17H2,1-2H3
InChIKeyBOBHEGPIPPKIRA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.61
Rot. Bonds3

About 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine

4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine (PubChem CID 63599579) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
PubChem CID63599579
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2ccc(F)cc2C)c(N)cc1F
InChIInChI=1S/C14H14F2N2O/c1-8-5-9(15)3-4-12(8)18-13-7-14(19-2)10(16)6-11(13)17/h3-7,18H,17H2,1-2H3
InChIKeyBOBHEGPIPPKIRA-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 63592330
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
1-N-(2,5-dichloro-4-methylphenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 104725821
2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83008637
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
4-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115124711
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine (CID 63599579) is 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine is COc1cc(Nc2ccc(F)cc2C)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine?
The InChIKey is BOBHEGPIPPKIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-5-9(15)3-4-12(8)18-13-7-14(19-2)10(16)6-11(13)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine?
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine is sourced from PubChem (CID 63599579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).