4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol

C21H19Cl2NO3 — CID 66540451

IUPAC4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
SMILESCOc1cc(CNc2ccc(O)cc2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H19Cl2NO3/c1-26-20-10-15(12-24-17-5-7-18(25)8-6-17)19(23)11-21(20)27-13-14-3-2-4-16(22)9-14/h2-11,24-25H,12-13H2,1H3
InChIKeyUKUXPMHHQPIWAN-UHFFFAOYSA-N
MW404.29 g/mol
LogP5.90
Rot. Bonds7

About 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol

4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol (PubChem CID 66540451) has the molecular formula C21H19Cl2NO3 and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
PubChem CID66540451
Molecular FormulaC21H19Cl2NO3
Molecular Weight404.29 g/mol
Exact Mass403.07
IUPAC Name4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
SMILESCOc1cc(CNc2ccc(O)cc2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H19Cl2NO3/c1-26-20-10-15(12-24-17-5-7-18(25)8-6-17)19(23)11-21(20)27-13-14-3-2-4-16(22)9-14/h2-11,24-25H,12-13H2,1H3
InChIKeyUKUXPMHHQPIWAN-UHFFFAOYSA-N
XLogP5.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66540195
4-chloro-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 66539636
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dichloroaniline
CID 66543369
4-bromo-N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66539871
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540113
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66537683
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methoxyaniline
CID 66540309
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-chloro-4-methoxyaniline
CID 66541237
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542535

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol?
The IUPAC name of 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol (CID 66540451) is 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol.
What is the SMILES notation for 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol?
The canonical SMILES for 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol is COc1cc(CNc2ccc(O)cc2)c(Cl)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol?
The InChIKey is UKUXPMHHQPIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO3/c1-26-20-10-15(12-24-17-5-7-18(25)8-6-17)19(23)11-21(20)27-13-14-3-2-4-16(22)9-14/h2-11,24-25H,12-13H2,1H3.
What are the key properties of 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol?
4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol has a molecular weight of 404.29 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol is sourced from PubChem (CID 66540451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).