1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C14H14ClFN2O2 — CID 107258678

IUPAC1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(OC)c(Cl)c2)c(F)cc1N
InChIInChI=1S/C14H14ClFN2O2/c1-19-13-4-3-8(5-9(13)15)18-12-7-14(20-2)11(17)6-10(12)16/h3-7,18H,17H2,1-2H3
InChIKeyGYOVRYIMMVAPBJ-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.82
Rot. Bonds4

About 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107258678) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107258678
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(OC)c(Cl)c2)c(F)cc1N
InChIInChI=1S/C14H14ClFN2O2/c1-19-13-4-3-8(5-9(13)15)18-12-7-14(20-2)11(17)6-10(12)16/h3-7,18H,17H2,1-2H3
InChIKeyGYOVRYIMMVAPBJ-UHFFFAOYSA-N
XLogP3.82
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
1-N-(4-bromo-2-chlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258759
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259351
1-N-(5-chloro-2-methylphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258741
2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
CID 107622922
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107258678) is 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(Nc2ccc(OC)c(Cl)c2)c(F)cc1N.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is GYOVRYIMMVAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-19-13-4-3-8(5-9(13)15)18-12-7-14(20-2)11(17)6-10(12)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 296.73 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107258678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).