2-aminopropan-1-ol;2-phenylethanol

C11H19NO2 — CID 174837900

IUPAC2-aminopropan-1-ol;2-phenylethanol
SMILESCC(N)CO.OCCc1ccccc1
InChIInChI=1S/C8H10O.C3H9NO/c9-7-6-8-4-2-1-3-5-8;1-3(4)2-5/h1-5,9H,6-7H2;3,5H,2,4H2,1H3
InChIKeyBGKZIVATWYUZKO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.55
Rot. Bonds3

About 2-aminopropan-1-ol;2-phenylethanol

2-aminopropan-1-ol;2-phenylethanol (PubChem CID 174837900) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-aminopropan-1-ol;2-phenylethanol.

Molecular Properties

Compound Name2-aminopropan-1-ol;2-phenylethanol
PubChem CID174837900
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-aminopropan-1-ol;2-phenylethanol
SMILESCC(N)CO.OCCc1ccccc1
InChIInChI=1S/C8H10O.C3H9NO/c9-7-6-8-4-2-1-3-5-8;1-3(4)2-5/h1-5,9H,6-7H2;3,5H,2,4H2,1H3
InChIKeyBGKZIVATWYUZKO-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butane-2,3-diol;2-phenylethanol
CID 175116943
(2S)-4-phenylbutan-2-amine
CID 6994564
formaldehyde;2-phenylethanol
CID 143785167
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
1-phenoxyethanol;2-phenylethanol
CID 70376198
2-amino-3-phenylpropanoic acid;2-phenylethanol
CID 174842884
2-amino-4-phenylbutan-1-ol
CID 159249603
2-phenylethanol;propanoic acid
CID 70495468
2-phenylethanol;sulfamic acid
CID 67854690
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955

Frequently Asked Questions

What is the IUPAC name of 2-aminopropan-1-ol;2-phenylethanol?
The IUPAC name of 2-aminopropan-1-ol;2-phenylethanol (CID 174837900) is 2-aminopropan-1-ol;2-phenylethanol.
What is the SMILES notation for 2-aminopropan-1-ol;2-phenylethanol?
The canonical SMILES for 2-aminopropan-1-ol;2-phenylethanol is CC(N)CO.OCCc1ccccc1.
What is the InChIKey of 2-aminopropan-1-ol;2-phenylethanol?
The InChIKey is BGKZIVATWYUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H9NO/c9-7-6-8-4-2-1-3-5-8;1-3(4)2-5/h1-5,9H,6-7H2;3,5H,2,4H2,1H3.
What are the key properties of 2-aminopropan-1-ol;2-phenylethanol?
2-aminopropan-1-ol;2-phenylethanol has a molecular weight of 197.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropan-1-ol;2-phenylethanol is sourced from PubChem (CID 174837900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).