3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline

C15H16FNO — CID 784534

IUPAC3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(F)c2)cc1C
InChIInChI=1S/C15H16FNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyISIFMBBYQYCXHU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.75
Rot. Bonds4

About 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline

3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline (PubChem CID 784534) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
PubChem CID784534
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(F)c2)cc1C
InChIInChI=1S/C15H16FNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyISIFMBBYQYCXHU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline 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-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline (CID 784534) is 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline is COc1ccc(CNc2cccc(F)c2)cc1C.
What is the InChIKey of 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The InChIKey is ISIFMBBYQYCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 784534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).