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

C17H29NO2 — CID 106175254

IUPAC3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-17(4,10-11-19)18-12-16(20)15-8-6-14(7-9-15)13(2)3/h6-9,13,16,18-20H,5,10-12H2,1-4H3
InChIKeyJVQPBRWTCNUYOY-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.98
Rot. Bonds8

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

3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol (PubChem CID 106175254) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
PubChem CID106175254
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-17(4,10-11-19)18-12-16(20)15-8-6-14(7-9-15)13(2)3/h6-9,13,16,18-20H,5,10-12H2,1-4H3
InChIKeyJVQPBRWTCNUYOY-UHFFFAOYSA-N
XLogP2.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 115359762
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103945790
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-3-ylamino)ethanol
CID 103746683
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol (CID 106175254) is 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol?
The InChIKey is JVQPBRWTCNUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-17(4,10-11-19)18-12-16(20)15-8-6-14(7-9-15)13(2)3/h6-9,13,16,18-20H,5,10-12H2,1-4H3.
What are the key properties of 3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol?
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.98, 8 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]-3-methylpentan-1-ol is sourced from PubChem (CID 106175254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).