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

C14H15FN2O2 — CID 55234359

IUPAC4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(F)cc2OC)ccc1N
InChIInChI=1S/C14H15FN2O2/c1-18-13-8-10(4-5-11(13)16)17-12-6-3-9(15)7-14(12)19-2/h3-8,17H,16H2,1-2H3
InChIKeyOYIGSGBVTNKZIP-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.17
Rot. Bonds4

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

4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine (PubChem CID 55234359) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
PubChem CID55234359
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(F)cc2OC)ccc1N
InChIInChI=1S/C14H15FN2O2/c1-18-13-8-10(4-5-11(13)16)17-12-6-3-9(15)7-14(12)19-2/h3-8,17H,16H2,1-2H3
InChIKeyOYIGSGBVTNKZIP-UHFFFAOYSA-N
XLogP3.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.17
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

4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine (CID 55234359) is 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine is COc1cc(Nc2ccc(F)cc2OC)ccc1N.
What is the InChIKey of 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The InChIKey is OYIGSGBVTNKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-13-8-10(4-5-11(13)16)17-12-6-3-9(15)7-14(12)19-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 55234359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).