4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline

C21H20ClNO — CID 141092250

IUPAC4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
SMILESCN(Cc1ccc(COc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO/c1-23(20-13-11-19(22)12-14-20)15-17-7-9-18(10-8-17)16-24-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3
InChIKeyVVTATNKCLYKSSS-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.56
Rot. Bonds6

About 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline

4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline (PubChem CID 141092250) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
PubChem CID141092250
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
SMILESCN(Cc1ccc(COc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO/c1-23(20-13-11-19(22)12-14-20)15-17-7-9-18(10-8-17)16-24-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3
InChIKeyVVTATNKCLYKSSS-UHFFFAOYSA-N
XLogP5.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline 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

1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
2-[(N-methyl-4-phenylmethoxyanilino)methyl]benzonitrile
CID 168969764
N-methyl-N-(phenoxymethyl)aniline
CID 20818319
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline (CID 141092250) is 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline is CN(Cc1ccc(COc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline?
The InChIKey is VVTATNKCLYKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-23(20-13-11-19(22)12-14-20)15-17-7-9-18(10-8-17)16-24-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline?
4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline has a molecular weight of 337.85 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 141092250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).