1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol

C16H27NO2 — CID 62306251

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-5-15(13-9-7-6-8-10-13)17-11-14(18)12-19-16(2,3)4/h6-10,14-15,17-18H,5,11-12H2,1-4H3
InChIKeyNVFHUIDCAHDEKT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol (PubChem CID 62306251) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
PubChem CID62306251
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-5-15(13-9-7-6-8-10-13)17-11-14(18)12-19-16(2,3)4/h6-10,14-15,17-18H,5,11-12H2,1-4H3
InChIKeyNVFHUIDCAHDEKT-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-cyclopentyloxy-3-(1-phenylpropylamino)propan-2-ol
CID 62306417
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol (CID 62306251) is 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol is CCC(NCC(O)COC(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol?
The InChIKey is NVFHUIDCAHDEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-15(13-9-7-6-8-10-13)17-11-14(18)12-19-16(2,3)4/h6-10,14-15,17-18H,5,11-12H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol is sourced from PubChem (CID 62306251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).