3-(2,6-dimethylanilino)phenol

C14H15NO — CID 53407688

IUPAC3-(2,6-dimethylanilino)phenol
SMILESCc1cccc(C)c1Nc1cccc(O)c1
InChIInChI=1S/C14H15NO/c1-10-5-3-6-11(2)14(10)15-12-7-4-8-13(16)9-12/h3-9,15-16H,1-2H3
InChIKeyZQHONSDEIKIIGH-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.75
Rot. Bonds2

About 3-(2,6-dimethylanilino)phenol

3-(2,6-dimethylanilino)phenol (PubChem CID 53407688) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)phenol.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)phenol
PubChem CID53407688
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(2,6-dimethylanilino)phenol
SMILESCc1cccc(C)c1Nc1cccc(O)c1
InChIInChI=1S/C14H15NO/c1-10-5-3-6-11(2)14(10)15-12-7-4-8-13(16)9-12/h3-9,15-16H,1-2H3
InChIKeyZQHONSDEIKIIGH-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
CID 123576120
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
3-(4-methoxyanilino)phenol
CID 15574559
3-(4-chloroanilino)phenol
CID 22350263
3-(pyridin-4-ylamino)phenol
CID 13098457
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
3-(2-methoxyanilino)phenol
CID 82537348
3-(ethylamino)phenol
CID 578991
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
O-methyl N-(3-hydroxyphenyl)carbamothioate
CID 130011052
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)phenol?
The IUPAC name of 3-(2,6-dimethylanilino)phenol (CID 53407688) is 3-(2,6-dimethylanilino)phenol.
What is the SMILES notation for 3-(2,6-dimethylanilino)phenol?
The canonical SMILES for 3-(2,6-dimethylanilino)phenol is Cc1cccc(C)c1Nc1cccc(O)c1.
What is the InChIKey of 3-(2,6-dimethylanilino)phenol?
The InChIKey is ZQHONSDEIKIIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-5-3-6-11(2)14(10)15-12-7-4-8-13(16)9-12/h3-9,15-16H,1-2H3.
What are the key properties of 3-(2,6-dimethylanilino)phenol?
3-(2,6-dimethylanilino)phenol has a molecular weight of 213.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)phenol is sourced from PubChem (CID 53407688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).