3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine

C14H15FN2O — CID 80722407

IUPAC3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cc(F)ccc2C)c1
InChIInChI=1S/C14H15FN2O/c1-9-3-4-10(15)5-14(9)17-12-6-11(16)7-13(8-12)18-2/h3-8,17H,16H2,1-2H3
InChIKeyXPLSMIPORVQPFK-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.47
Rot. Bonds3

About 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine

3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine (PubChem CID 80722407) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
PubChem CID80722407
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cc(F)ccc2C)c1
InChIInChI=1S/C14H15FN2O/c1-9-3-4-10(15)5-14(9)17-12-6-11(16)7-13(8-12)18-2/h3-8,17H,16H2,1-2H3
InChIKeyXPLSMIPORVQPFK-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80738994
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
3-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-methoxybenzene-1,3-diamine
CID 80739420
3-N-(2,5-difluorophenyl)-4-methylbenzene-1,3-diamine
CID 55091161
2-(3-amino-5-methoxyanilino)benzonitrile
CID 80721669
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine
CID 80742705

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine (CID 80722407) is 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine is COc1cc(N)cc(Nc2cc(F)ccc2C)c1.
What is the InChIKey of 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is XPLSMIPORVQPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-4-10(15)5-14(9)17-12-6-11(16)7-13(8-12)18-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine?
3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 80722407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).