N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline

C16H18ClNO2 — CID 106816044

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(C)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-12(6-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3
InChIKeyRIECLILNXKKNOW-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.28
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline

N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline (PubChem CID 106816044) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
PubChem CID106816044
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(C)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-12(6-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3
InChIKeyRIECLILNXKKNOW-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline 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-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
3,5-dichloro-N-[(3,5-dimethoxyphenyl)methyl]-4-fluoroaniline
CID 107572862

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline (CID 106816044) is N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline is COc1cc(NCc2ccc(C)c(Cl)c2)cc(OC)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline?
The InChIKey is RIECLILNXKKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-5-12(6-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline?
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline has a molecular weight of 291.78 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 106816044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).