[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H15ClFNO2 — CID 107878670

IUPAC[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2ccc(Cl)c(F)c2)c(CN)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-3-5-15(11(7-12)8-18)20-9-10-2-4-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3
InChIKeyIPTXMCKGAQBVPL-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

About [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 107878670) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID107878670
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2ccc(Cl)c(F)c2)c(CN)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-3-5-15(11(7-12)8-18)20-9-10-2-4-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3
InChIKeyIPTXMCKGAQBVPL-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 [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]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-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]boronic acid
CID 107882716
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 107878670) is [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1ccc(OCc2ccc(Cl)c(F)c2)c(CN)c1.
What is the InChIKey of [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is IPTXMCKGAQBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-12-3-5-15(11(7-12)8-18)20-9-10-2-4-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]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 [2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 107878670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).