1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol

C16H27NO2 — CID 107151998

IUPAC1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(C)(O)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-15(2,3)10-14(18)11-17-12-16(4,19)13-8-6-5-7-9-13/h5-9,14,17-19H,10-12H2,1-4H3
InChIKeyHYAXMJVEHWPDDP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.28
Rot. Bonds6

About 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol

1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151998) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107151998
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(C)(O)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-15(2,3)10-14(18)11-17-12-16(4,19)13-8-6-5-7-9-13/h5-9,14,17-19H,10-12H2,1-4H3
InChIKeyHYAXMJVEHWPDDP-UHFFFAOYSA-N
XLogP2.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
CID 106435302
3-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylpropanoic acid
CID 107152190
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 113350453
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol (CID 107151998) is 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is HYAXMJVEHWPDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(2,3)10-14(18)11-17-12-16(4,19)13-8-6-5-7-9-13/h5-9,14,17-19H,10-12H2,1-4H3.
What are the key properties of 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol?
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).