[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine

C15H15ClFNO2 — CID 104791271

IUPAC[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(Cl)cc2CN)c1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-4-2-3-10(15(14)17)9-20-13-6-5-12(16)7-11(13)8-18/h2-7H,8-9,18H2,1H3
InChIKeyUJXKNVSIIGTJMB-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

About [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine

[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 104791271) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID104791271
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(Cl)cc2CN)c1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-4-2-3-10(15(14)17)9-20-13-6-5-12(16)7-11(13)8-18/h2-7H,8-9,18H2,1H3
InChIKeyUJXKNVSIIGTJMB-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-[(2-fluoro-3-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

2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 104791340
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine (CID 104791271) is [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine is COc1cccc(COc2ccc(Cl)cc2CN)c1F.
What is the InChIKey of [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is UJXKNVSIIGTJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-4-2-3-10(15(14)17)9-20-13-6-5-12(16)7-11(13)8-18/h2-7H,8-9,18H2,1H3.
What are the key properties of [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine?
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 104791271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).