2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol

C14H23NO2 — CID 60909048

IUPAC2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
SMILESCC(CO)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-10(2)12-4-6-13(7-5-12)14(17)8-15-11(3)9-16/h4-7,10-11,14-17H,8-9H2,1-3H3
InChIKeyHTOWXVSKFLPPCR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.81
Rot. Bonds6

About 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol

2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol (PubChem CID 60909048) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
PubChem CID60909048
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
SMILESCC(CO)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-10(2)12-4-6-13(7-5-12)14(17)8-15-11(3)9-16/h4-7,10-11,14-17H,8-9H2,1-3H3
InChIKeyHTOWXVSKFLPPCR-UHFFFAOYSA-N
XLogP1.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
2-(but-3-yn-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 114416816
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol (CID 60909048) is 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol is CC(CO)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is HTOWXVSKFLPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-4-6-13(7-5-12)14(17)8-15-11(3)9-16/h4-7,10-11,14-17H,8-9H2,1-3H3.
What are the key properties of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol?
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 60909048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).