2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline

C15H15ClFNO3 — CID 59309657

IUPAC2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
SMILESCOc1cc(Cl)c(N)cc1OCc1c(F)cccc1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-13-5-3-4-11(17)9(13)8-21-15-7-12(18)10(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3
InChIKeyGSFAAAASHUZTER-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline

2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline (PubChem CID 59309657) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
PubChem CID59309657
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
SMILESCOc1cc(Cl)c(N)cc1OCc1c(F)cccc1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-13-5-3-4-11(17)9(13)8-21-15-7-12(18)10(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3
InChIKeyGSFAAAASHUZTER-UHFFFAOYSA-N
XLogP3.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline 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

3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
CID 144861284
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene
CID 144860819
4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
CID 144861297
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
2-[3-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol
CID 66537743
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 66530086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline (CID 59309657) is 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline is COc1cc(Cl)c(N)cc1OCc1c(F)cccc1OC.
What is the InChIKey of 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline?
The InChIKey is GSFAAAASHUZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-19-13-5-3-4-11(17)9(13)8-21-15-7-12(18)10(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3.
What are the key properties of 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline?
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline has a molecular weight of 311.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 59309657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).