1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol

C12H19NO2 — CID 67257224

IUPAC1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
SMILESCc1cccc(N(C(C)O)C(C)O)c1C
InChIInChI=1S/C12H19NO2/c1-8-6-5-7-12(9(8)2)13(10(3)14)11(4)15/h5-7,10-11,14-15H,1-4H3
InChIKeyVGWVULYMCZVXRC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.79
Rot. Bonds3

About 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol

1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol (PubChem CID 67257224) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol.

Molecular Properties

Compound Name1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
PubChem CID67257224
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
SMILESCc1cccc(N(C(C)O)C(C)O)c1C
InChIInChI=1S/C12H19NO2/c1-8-6-5-7-12(9(8)2)13(10(3)14)11(4)15/h5-7,10-11,14-15H,1-4H3
InChIKeyVGWVULYMCZVXRC-UHFFFAOYSA-N
XLogP1.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,2,3-trimethyl-N-silylaniline
CID 137327271
N-(2,3-dimethylphenyl)-N-phenylhydroxylamine
CID 141495337
N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57351838
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
(2R)-1-(N,2,3-trimethylanilino)butan-2-ol
CID 111487530
1-(N-amino-2-methylanilino)ethanol
CID 146479047
4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol
CID 171540944
tetrakis(N,N-bis(2,3-dimethylphenyl)carbamodithioate);molybdenum(4+)
CID 159692603
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
CID 174691436
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol?
The IUPAC name of 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol (CID 67257224) is 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol.
What is the SMILES notation for 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol?
The canonical SMILES for 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol is Cc1cccc(N(C(C)O)C(C)O)c1C.
What is the InChIKey of 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol?
The InChIKey is VGWVULYMCZVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-5-7-12(9(8)2)13(10(3)14)11(4)15/h5-7,10-11,14-15H,1-4H3.
What are the key properties of 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol?
1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol is sourced from PubChem (CID 67257224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).