[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine

C15H16FNO — CID 64763729

IUPAC[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccccc1OCc1cc(F)ccc1CN
InChIInChI=1S/C15H16FNO/c1-11-4-2-3-5-15(11)18-10-13-8-14(16)7-6-12(13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyOFIFLGJJIIGYCO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.17
Rot. Bonds4

About [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine

[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 64763729) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
PubChem CID64763729
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccccc1OCc1cc(F)ccc1CN
InChIInChI=1S/C15H16FNO/c1-11-4-2-3-5-15(11)18-10-13-8-14(16)7-6-12(13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyOFIFLGJJIIGYCO-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine 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

[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine (CID 64763729) is [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine is Cc1ccccc1OCc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is OFIFLGJJIIGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-4-2-3-5-15(11)18-10-13-8-14(16)7-6-12(13)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine?
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 64763729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).