4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

C25H21Cl2NO2 — CID 126183393

IUPAC4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C25H21Cl2NO2/c1-29-24-14-17(15-28-21-11-9-20(26)10-12-21)13-23(27)25(24)30-16-19-7-4-6-18-5-2-3-8-22(18)19/h2-14,28H,15-16H2,1H3
InChIKeyBARXGEVZNDTWCD-UHFFFAOYSA-N
MW438.35 g/mol
LogP7.35
Rot. Bonds7

About 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (PubChem CID 126183393) has the molecular formula C25H21Cl2NO2 and a molecular weight of 438.35 g/mol. Its IUPAC name is 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
PubChem CID126183393
Molecular FormulaC25H21Cl2NO2
Molecular Weight438.35 g/mol
Exact Mass437.09
IUPAC Name4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C25H21Cl2NO2/c1-29-24-14-17(15-28-21-11-9-20(26)10-12-21)13-23(27)25(24)30-16-19-7-4-6-18-5-2-3-8-22(18)19/h2-14,28H,15-16H2,1H3
InChIKeyBARXGEVZNDTWCD-UHFFFAOYSA-N
XLogP7.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)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

N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-3,4-dimethylaniline
CID 126122097
3-chloro-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5190923
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
CID 126121340
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058853
N-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-methylaniline
CID 126118689
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288950
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (CID 126183393) is 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12.
What is the InChIKey of 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The InChIKey is BARXGEVZNDTWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2NO2/c1-29-24-14-17(15-28-21-11-9-20(26)10-12-21)13-23(27)25(24)30-16-19-7-4-6-18-5-2-3-8-22(18)19/h2-14,28H,15-16H2,1H3.
What are the key properties of 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline has a molecular weight of 438.35 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 126183393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).