3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol

C13H21NO2 — CID 103377034

IUPAC3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(CN)Cc1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(15)11(2)16-13(9-14)8-12-6-4-3-5-7-12/h3-7,10-11,13,15H,8-9,14H2,1-2H3
InChIKeyRRQDLAXRRHQNOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.34
Rot. Bonds6

About 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol

3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol (PubChem CID 103377034) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol
PubChem CID103377034
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(CN)Cc1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(15)11(2)16-13(9-14)8-12-6-4-3-5-7-12/h3-7,10-11,13,15H,8-9,14H2,1-2H3
InChIKeyRRQDLAXRRHQNOO-UHFFFAOYSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-(1-amino-3-phenylpropan-2-yl)oxyethanol
CID 103376743
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
2-methyl-3-phenylpropan-1-amine
CID 12672558
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
2-benzyl-3-methylbutan-1-amine
CID 59900587
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-(3-hydroxybutan-2-yloxy)-4-phenylbutanenitrile
CID 103376363

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol?
The IUPAC name of 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol (CID 103377034) is 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol is CC(O)C(C)OC(CN)Cc1ccccc1.
What is the InChIKey of 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol?
The InChIKey is RRQDLAXRRHQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)11(2)16-13(9-14)8-12-6-4-3-5-7-12/h3-7,10-11,13,15H,8-9,14H2,1-2H3.
What are the key properties of 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol?
3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 103377034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).