2-(2,3-dimethylanilino)propan-1-ol

C11H17NO — CID 21221760

IUPAC2-(2,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(NC(C)CO)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)12-9(2)7-13/h4-6,9,12-13H,7H2,1-3H3
InChIKeyAKFIIRZFKXNCPM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.10
Rot. Bonds3

About 2-(2,3-dimethylanilino)propan-1-ol

2-(2,3-dimethylanilino)propan-1-ol (PubChem CID 21221760) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)propan-1-ol
PubChem CID21221760
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(NC(C)CO)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)12-9(2)7-13/h4-6,9,12-13H,7H2,1-3H3
InChIKeyAKFIIRZFKXNCPM-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
methyl 3-(2,3-dimethylanilino)butanoate
CID 43536788
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
CID 103387317
2-(2-propan-2-ylanilino)propan-1-ol
CID 70464272
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
3-chloro-1-(2,3-dimethylanilino)propan-1-ol
CID 70487201
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)propan-1-ol?
The IUPAC name of 2-(2,3-dimethylanilino)propan-1-ol (CID 21221760) is 2-(2,3-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-(2,3-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-(2,3-dimethylanilino)propan-1-ol is Cc1cccc(NC(C)CO)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)propan-1-ol?
The InChIKey is AKFIIRZFKXNCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)12-9(2)7-13/h4-6,9,12-13H,7H2,1-3H3.
What are the key properties of 2-(2,3-dimethylanilino)propan-1-ol?
2-(2,3-dimethylanilino)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)propan-1-ol is sourced from PubChem (CID 21221760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).