2-(2,4-dimethylanilino)propan-1-ol

C11H17NO — CID 130502576

IUPAC2-(2,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(NC(C)CO)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3
InChIKeyJIHATPNNBDSGPX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.10
Rot. Bonds3

About 2-(2,4-dimethylanilino)propan-1-ol

2-(2,4-dimethylanilino)propan-1-ol (PubChem CID 130502576) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)propan-1-ol
PubChem CID130502576
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(NC(C)CO)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3
InChIKeyJIHATPNNBDSGPX-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

2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
2-(2,4-dimethylanilino)propanethial
CID 123141058
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)propan-1-ol?
The IUPAC name of 2-(2,4-dimethylanilino)propan-1-ol (CID 130502576) is 2-(2,4-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-(2,4-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-(2,4-dimethylanilino)propan-1-ol is Cc1ccc(NC(C)CO)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)propan-1-ol?
The InChIKey is JIHATPNNBDSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3.
What are the key properties of 2-(2,4-dimethylanilino)propan-1-ol?
2-(2,4-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-(2,4-dimethylanilino)propan-1-ol is sourced from PubChem (CID 130502576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).