3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline

C16H18FNO — CID 154647902

IUPAC3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)c(Cc2cc(C)cc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-10-4-12(7-14(17)5-10)6-13-8-15(19-3)9-16(18)11(13)2/h4-5,7-9H,6,18H2,1-3H3
InChIKeyAALBUZSJPRBFEO-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.62
Rot. Bonds3

About 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline

3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline (PubChem CID 154647902) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline.

Molecular Properties

Compound Name3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline
PubChem CID154647902
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)c(Cc2cc(C)cc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-10-4-12(7-14(17)5-10)6-13-8-15(19-3)9-16(18)11(13)2/h4-5,7-9H,6,18H2,1-3H3
InChIKeyAALBUZSJPRBFEO-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline?
The IUPAC name of 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline (CID 154647902) is 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline.
What is the SMILES notation for 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline?
The canonical SMILES for 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline is COc1cc(N)c(C)c(Cc2cc(C)cc(F)c2)c1.
What is the InChIKey of 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline?
The InChIKey is AALBUZSJPRBFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-4-12(7-14(17)5-10)6-13-8-15(19-3)9-16(18)11(13)2/h4-5,7-9H,6,18H2,1-3H3.
What are the key properties of 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline?
3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline has a molecular weight of 259.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline is sourced from PubChem (CID 154647902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).