3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol

C15H25NO2 — CID 63193478

IUPAC3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(O)CN(C)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(17)10-16(4)11-15(2,3)14(18)13-8-6-5-7-9-13/h5-9,12,14,17-18H,10-11H2,1-4H3
InChIKeyFXMVZQODVZGXHI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds6

About 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol

3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 63193478) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID63193478
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(O)CN(C)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(17)10-16(4)11-15(2,3)14(18)13-8-6-5-7-9-13/h5-9,12,14,17-18H,10-11H2,1-4H3
InChIKeyFXMVZQODVZGXHI-UHFFFAOYSA-N
XLogP2.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
CID 81074892
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 63194009
3-(dipropylamino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193572
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193525
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol (CID 63193478) is 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol is CC(O)CN(C)CC(C)(C)C(O)c1ccccc1.
What is the InChIKey of 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is FXMVZQODVZGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(17)10-16(4)11-15(2,3)14(18)13-8-6-5-7-9-13/h5-9,12,14,17-18H,10-11H2,1-4H3.
What are the key properties of 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63193478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).