2-(2-propan-2-ylanilino)propan-1-ol

C12H19NO — CID 70464272

IUPAC2-(2-propan-2-ylanilino)propan-1-ol
SMILESCC(CO)Nc1ccccc1C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)11-6-4-5-7-12(11)13-10(3)8-14/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyWLVLXIPHHNDVBK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-propan-2-ylanilino)propan-1-ol

2-(2-propan-2-ylanilino)propan-1-ol (PubChem CID 70464272) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2-propan-2-ylanilino)propan-1-ol
PubChem CID70464272
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-propan-2-ylanilino)propan-1-ol
SMILESCC(CO)Nc1ccccc1C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)11-6-4-5-7-12(11)13-10(3)8-14/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyWLVLXIPHHNDVBK-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10130489
(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(2R,3S)-2-((4-octylphenylamino)methyl)pyrrolidin-3-ol
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2-Methyl-4-(N-ethyl-N-(beta-hydroxyethyl)amino)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 2-(2-propan-2-ylanilino)propan-1-ol (CID 70464272) is 2-(2-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 2-(2-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 2-(2-propan-2-ylanilino)propan-1-ol is CC(CO)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(2-propan-2-ylanilino)propan-1-ol?
The InChIKey is WLVLXIPHHNDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)11-6-4-5-7-12(11)13-10(3)8-14/h4-7,9-10,13-14H,8H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylanilino)propan-1-ol?
2-(2-propan-2-ylanilino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 70464272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).