[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine

C15H16FNO2 — CID 28966349

IUPAC[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyXKDXNAQXWQPOIW-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.87
Rot. Bonds5

About [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine

[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 28966349) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID28966349
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyXKDXNAQXWQPOIW-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-[(4-methoxyphenyl)methoxy]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

4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine (CID 28966349) is [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(COc2ccc(CN)cc2F)cc1.
What is the InChIKey of [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is XKDXNAQXWQPOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine?
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 28966349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).