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

C15H25NO2 — CID 60634058

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-12-14(17)11-16-10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3
InChIKeyBRLDCVWWZAPJLM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds7

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

1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol (PubChem CID 60634058) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
PubChem CID60634058
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-12-14(17)11-16-10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3
InChIKeyBRLDCVWWZAPJLM-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 172620668
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
(2S)-1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 2116069
1-[2-(cyclohexen-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634630

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol (CID 60634058) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol is CC(C)(C)OCC(O)CNCCc1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is BRLDCVWWZAPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)18-12-14(17)11-16-10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.99, 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-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 60634058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).