3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline

C15H14Cl3NO — CID 43101909

IUPAC3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(10-3-5-12(16)13(17)7-10)19-11-4-6-15(20-2)14(18)8-11/h3-9,19H,1-2H3
InChIKeyWCRZWFJTHSBQIF-UHFFFAOYSA-N
MW330.64 g/mol
LogP5.83
Rot. Bonds4

About 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline

3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline (PubChem CID 43101909) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
PubChem CID43101909
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(10-3-5-12(16)13(17)7-10)19-11-4-6-15(20-2)14(18)8-11/h3-9,19H,1-2H3
InChIKeyWCRZWFJTHSBQIF-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-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

3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline (CID 43101909) is 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline is COc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline?
The InChIKey is WCRZWFJTHSBQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-9(10-3-5-12(16)13(17)7-10)19-11-4-6-15(20-2)14(18)8-11/h3-9,19H,1-2H3.
What are the key properties of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline?
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline has a molecular weight of 330.64 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline is sourced from PubChem (CID 43101909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).