N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline

C14H13ClFNO — CID 82539005

IUPACN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
SMILESCOc1ccc(F)cc1NCc1ccccc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-7-6-11(16)8-13(14)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyAFJAQTVIOMTQPY-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.10
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline (PubChem CID 82539005) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
PubChem CID82539005
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
SMILESCOc1ccc(F)cc1NCc1ccccc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-7-6-11(16)8-13(14)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyAFJAQTVIOMTQPY-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-5-fluoro-2-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

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline (CID 82539005) is N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline is COc1ccc(F)cc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline?
The InChIKey is AFJAQTVIOMTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-14-7-6-11(16)8-13(14)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline?
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline has a molecular weight of 265.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 82539005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).