1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol

C12H19NO2 — CID 15026090

IUPAC1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
SMILESCC(O)CN(c1ccccc1)C(C)CO
InChIInChI=1S/C12H19NO2/c1-10(9-14)13(8-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3
InChIKeyXPJPJQUOVWPZDQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds5

About 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol

1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol (PubChem CID 15026090) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
PubChem CID15026090
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
SMILESCC(O)CN(c1ccccc1)C(C)CO
InChIInChI=1S/C12H19NO2/c1-10(9-14)13(8-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3
InChIKeyXPJPJQUOVWPZDQ-UHFFFAOYSA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
1-(N-benzylanilino)ethanol
CID 19010703
2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde
CID 22860787
aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
CID 174960687
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
(2S)-1-[[(2S)-1-hydroxypropan-2-yl]-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 124855397
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983
3-(N-methylanilino)butanoic acid
CID 72755664
1-(N-ethyl-4-phenyldiazenylanilino)ethanol
CID 23460666
4-(N-methylanilino)pentan-2-one
CID 64697699

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol?
The IUPAC name of 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol (CID 15026090) is 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol.
What is the SMILES notation for 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol?
The canonical SMILES for 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol is CC(O)CN(c1ccccc1)C(C)CO.
What is the InChIKey of 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol?
The InChIKey is XPJPJQUOVWPZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-14)13(8-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3.
What are the key properties of 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol?
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol is sourced from PubChem (CID 15026090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).