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

C15H25NO2 — CID 8741564

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(13-8-6-5-7-9-13)16-10-14(17)11-18-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3/t12-,14-/m1/s1
InChIKeySDDLOZBXFNVCLQ-TZMCWYRMSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds6

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

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 8741564) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID8741564
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(13-8-6-5-7-9-13)16-10-14(17)11-18-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3/t12-,14-/m1/s1
InChIKeySDDLOZBXFNVCLQ-TZMCWYRMSA-N
XLogP2.51
TPSA41.49 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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
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-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-(2-tert-butylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237866
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 8741564) is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is C[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is SDDLOZBXFNVCLQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(13-8-6-5-7-9-13)16-10-14(17)11-18-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.51, 6 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-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 8741564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).