6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol

C20H17Cl2NO2 — CID 91306636

IUPAC6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol
SMILESCc1c(Cl)cc(N(Cc2ccccc2)c2cccc(O)c2)c(O)c1Cl
InChIInChI=1S/C20H17Cl2NO2/c1-13-17(21)11-18(20(25)19(13)22)23(12-14-6-3-2-4-7-14)15-8-5-9-16(24)10-15/h2-11,24-25H,12H2,1H3
InChIKeyLPAMWCDJYBCWOX-UHFFFAOYSA-N
MW374.27 g/mol
LogP6.05
Rot. Bonds4

About 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol

6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol (PubChem CID 91306636) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol.

Molecular Properties

Compound Name6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol
PubChem CID91306636
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol
SMILESCc1c(Cl)cc(N(Cc2ccccc2)c2cccc(O)c2)c(O)c1Cl
InChIInChI=1S/C20H17Cl2NO2/c1-13-17(21)11-18(20(25)19(13)22)23(12-14-6-3-2-4-7-14)15-8-5-9-16(24)10-15/h2-11,24-25H,12H2,1H3
InChIKeyLPAMWCDJYBCWOX-UHFFFAOYSA-N
XLogP6.05
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol
CID 58192695
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
CID 107733664
3-(N-hexadecylanilino)phenol
CID 21083116
2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
CID 174932944
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
1-N,3-N-dibenzyl-1-N,3-N-dichloro-2-methylbenzene-1,3-diamine
CID 174756588
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588

Frequently Asked Questions

What is the IUPAC name of 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol?
The IUPAC name of 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol (CID 91306636) is 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol.
What is the SMILES notation for 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol?
The canonical SMILES for 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol is Cc1c(Cl)cc(N(Cc2ccccc2)c2cccc(O)c2)c(O)c1Cl.
What is the InChIKey of 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol?
The InChIKey is LPAMWCDJYBCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-13-17(21)11-18(20(25)19(13)22)23(12-14-6-3-2-4-7-14)15-8-5-9-16(24)10-15/h2-11,24-25H,12H2,1H3.
What are the key properties of 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol?
6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol has a molecular weight of 374.27 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-benzyl-3-hydroxyanilino)-2,4-dichloro-3-methylphenol is sourced from PubChem (CID 91306636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).