N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

C23H24ClNO — CID 126123799

IUPACN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H24ClNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-21(24)13-20(23)14-25-22-10-6-17(2)12-18(22)3/h4-13,25H,14-15H2,1-3H3
InChIKeyOURMCSFBTBAQLO-UHFFFAOYSA-N
MW365.90 g/mol
LogP6.46
Rot. Bonds6

About N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (PubChem CID 126123799) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
PubChem CID126123799
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H24ClNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-21(24)13-20(23)14-25-22-10-6-17(2)12-18(22)3/h4-13,25H,14-15H2,1-3H3
InChIKeyOURMCSFBTBAQLO-UHFFFAOYSA-N
XLogP6.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline 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-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126116313
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055769
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17055768
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125870
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (CID 126123799) is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is OURMCSFBTBAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-21(24)13-20(23)14-25-22-10-6-17(2)12-18(22)3/h4-13,25H,14-15H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline has a molecular weight of 365.90 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126123799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).