2-chloro-6-(3,5-dimethylanilino)phenol

C14H14ClNO — CID 171920442

IUPAC2-chloro-6-(3,5-dimethylanilino)phenol
SMILESCc1cc(C)cc(Nc2cccc(Cl)c2O)c1
InChIInChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(15)14(13)17/h3-8,16-17H,1-2H3
InChIKeyBCIZBIPFQAYNPE-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.41
Rot. Bonds2

About 2-chloro-6-(3,5-dimethylanilino)phenol

2-chloro-6-(3,5-dimethylanilino)phenol (PubChem CID 171920442) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylanilino)phenol.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethylanilino)phenol
PubChem CID171920442
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-6-(3,5-dimethylanilino)phenol
SMILESCc1cc(C)cc(Nc2cccc(Cl)c2O)c1
InChIInChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(15)14(13)17/h3-8,16-17H,1-2H3
InChIKeyBCIZBIPFQAYNPE-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(4-methylanilino)phenol
CID 171920198
5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol
CID 171920210
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)thiourea
CID 53365078
(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide
CID 97246482
1-(3-chloro-2-hydroxyphenyl)-3-phenylthiourea
CID 87654984
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 143992498
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline
CID 145303163
2-chloro-6-methylphenol;yttrium
CID 178141464
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethylanilino)phenol?
The IUPAC name of 2-chloro-6-(3,5-dimethylanilino)phenol (CID 171920442) is 2-chloro-6-(3,5-dimethylanilino)phenol.
What is the SMILES notation for 2-chloro-6-(3,5-dimethylanilino)phenol?
The canonical SMILES for 2-chloro-6-(3,5-dimethylanilino)phenol is Cc1cc(C)cc(Nc2cccc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-(3,5-dimethylanilino)phenol?
The InChIKey is BCIZBIPFQAYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(15)14(13)17/h3-8,16-17H,1-2H3.
What are the key properties of 2-chloro-6-(3,5-dimethylanilino)phenol?
2-chloro-6-(3,5-dimethylanilino)phenol has a molecular weight of 247.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethylanilino)phenol is sourced from PubChem (CID 171920442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).