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

C10H23NO2 — CID 8741528

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)11-6-9(12)7-13-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyRQVBJQASVOZVLR-SECBINFHSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds5

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

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 8741528) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID8741528
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)11-6-9(12)7-13-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyRQVBJQASVOZVLR-SECBINFHSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
CID 82714833
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-2-methylpropanamide
CID 61221150
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60635607

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol (CID 8741528) is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COC(C)(C)C.
What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RQVBJQASVOZVLR-SECBINFHSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)11-6-9(12)7-13-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 8741528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).