3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol

C16H27NO2 — CID 115359762

IUPAC3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)c1ccc(C(O)CNCC(C)(C)CO)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)13-5-7-14(8-6-13)15(19)9-17-10-16(3,4)11-18/h5-8,12,15,17-19H,9-11H2,1-4H3
InChIKeyWYHWKCKQBOAMTB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds7

About 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol

3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115359762) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115359762
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)c1ccc(C(O)CNCC(C)(C)CO)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)13-5-7-14(8-6-13)15(19)9-17-10-16(3,4)11-18/h5-8,12,15,17-19H,9-11H2,1-4H3
InChIKeyWYHWKCKQBOAMTB-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 106146980
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
CID 106175254
1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
1-cyclopropyl-2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]ethanol
CID 63296177
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol (CID 115359762) is 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol is CC(C)c1ccc(C(O)CNCC(C)(C)CO)cc1.
What is the InChIKey of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is WYHWKCKQBOAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)13-5-7-14(8-6-13)15(19)9-17-10-16(3,4)11-18/h5-8,12,15,17-19H,9-11H2,1-4H3.
What are the key properties of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).