N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline

C22H21Cl2NO — CID 126123609

IUPACN-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccc(COc2c(Cl)cc(CNc3ccccc3C)cc2Cl)cc1
InChIInChI=1S/C22H21Cl2NO/c1-15-7-9-17(10-8-15)14-26-22-19(23)11-18(12-20(22)24)13-25-21-6-4-3-5-16(21)2/h3-12,25H,13-14H2,1-2H3
InChIKeyMUQMHFPOPUGSMK-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.80
Rot. Bonds6

About N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline

N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126123609) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126123609
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC NameN-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccc(COc2c(Cl)cc(CNc3ccccc3C)cc2Cl)cc1
InChIInChI=1S/C22H21Cl2NO/c1-15-7-9-17(10-8-15)14-26-22-19(23)11-18(12-20(22)24)13-25-21-6-4-3-5-16(21)2/h3-12,25H,13-14H2,1-2H3
InChIKeyMUQMHFPOPUGSMK-UHFFFAOYSA-N
XLogP6.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline 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-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125539
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methyl]-2-methylaniline
CID 126121219
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126122735
3,4-dichloro-N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126203927
3-chloro-N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125043
N-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126122048
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
5-chloro-N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118360
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126123609) is N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1ccc(COc2c(Cl)cc(CNc3ccccc3C)cc2Cl)cc1.
What is the InChIKey of N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is MUQMHFPOPUGSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-15-7-9-17(10-8-15)14-26-22-19(23)11-18(12-20(22)24)13-25-21-6-4-3-5-16(21)2/h3-12,25H,13-14H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline?
N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 386.32 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126123609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).