2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol

C15H13Cl4NO — CID 107679171

IUPAC2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
SMILESCCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4NO/c1-2-14(10-4-3-8(16)5-11(10)17)20-9-6-12(18)15(21)13(19)7-9/h3-7,14,20-21H,2H2,1H3
InChIKeyKGHCMCVMRLIPHU-UHFFFAOYSA-N
MW365.09 g/mol
LogP6.57
Rot. Bonds4

About 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol

2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol (PubChem CID 107679171) has the molecular formula C15H13Cl4NO and a molecular weight of 365.09 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
PubChem CID107679171
Molecular FormulaC15H13Cl4NO
Molecular Weight365.09 g/mol
Exact Mass362.98
IUPAC Name2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
SMILESCCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4NO/c1-2-14(10-4-3-8(16)5-11(10)17)20-9-6-12(18)15(21)13(19)7-9/h3-7,14,20-21H,2H2,1H3
InChIKeyKGHCMCVMRLIPHU-UHFFFAOYSA-N
XLogP6.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.09
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol (CID 107679171) is 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol is CCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol?
The InChIKey is KGHCMCVMRLIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4NO/c1-2-14(10-4-3-8(16)5-11(10)17)20-9-6-12(18)15(21)13(19)7-9/h3-7,14,20-21H,2H2,1H3.
What are the key properties of 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol?
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol has a molecular weight of 365.09 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol is sourced from PubChem (CID 107679171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).