2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline

C14H12Cl3NO — CID 65315824

IUPAC2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyQBLCGBIHPBBNBA-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.27
Rot. Bonds4

About 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline

2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline (PubChem CID 65315824) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
PubChem CID65315824
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyQBLCGBIHPBBNBA-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-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

N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-5-methoxyaniline
CID 55033030
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline (CID 65315824) is 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline is COc1ccc(Cl)c(NCc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline?
The InChIKey is QBLCGBIHPBBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline?
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline has a molecular weight of 316.62 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 65315824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).