N-(3-chlorophenyl)-3,4,5-trimethoxyaniline

C15H16ClNO3 — CID 102029180

IUPACN-(3-chlorophenyl)-3,4,5-trimethoxyaniline
SMILESCOc1cc(Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C15H16ClNO3/c1-18-13-8-12(9-14(19-2)15(13)20-3)17-11-6-4-5-10(16)7-11/h4-9,17H,1-3H3
InChIKeyKIUDLLYZSNAOSH-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.11
Rot. Bonds5

About N-(3-chlorophenyl)-3,4,5-trimethoxyaniline

N-(3-chlorophenyl)-3,4,5-trimethoxyaniline (PubChem CID 102029180) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,4,5-trimethoxyaniline
PubChem CID102029180
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-(3-chlorophenyl)-3,4,5-trimethoxyaniline
SMILESCOc1cc(Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C15H16ClNO3/c1-18-13-8-12(9-14(19-2)15(13)20-3)17-11-6-4-5-10(16)7-11/h4-9,17H,1-3H3
InChIKeyKIUDLLYZSNAOSH-UHFFFAOYSA-N
XLogP4.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3,4,5-trimethoxyaniline 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-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314914
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,4,5-trimethoxyaniline?
The IUPAC name of N-(3-chlorophenyl)-3,4,5-trimethoxyaniline (CID 102029180) is N-(3-chlorophenyl)-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-(3-chlorophenyl)-3,4,5-trimethoxyaniline?
The canonical SMILES for N-(3-chlorophenyl)-3,4,5-trimethoxyaniline is COc1cc(Nc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-3,4,5-trimethoxyaniline?
The InChIKey is KIUDLLYZSNAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-18-13-8-12(9-14(19-2)15(13)20-3)17-11-6-4-5-10(16)7-11/h4-9,17H,1-3H3.
What are the key properties of N-(3-chlorophenyl)-3,4,5-trimethoxyaniline?
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline has a molecular weight of 293.75 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,4,5-trimethoxyaniline is sourced from PubChem (CID 102029180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).