2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol

C16H19NO2 — CID 111468728

IUPAC2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
SMILESCC(O)(CNCC=Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO2/c1-16(18,15-10-6-12-19-15)13-17-11-5-9-14-7-3-2-4-8-14/h2-10,12,17-18H,11,13H2,1H3
InChIKeyXPBYRMPCZIDALJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.79
Rot. Bonds6

About 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol

2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol (PubChem CID 111468728) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
PubChem CID111468728
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
SMILESCC(O)(CNCC=Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO2/c1-16(18,15-10-6-12-19-15)13-17-11-5-9-14-7-3-2-4-8-14/h2-10,12,17-18H,11,13H2,1H3
InChIKeyXPBYRMPCZIDALJ-UHFFFAOYSA-N
XLogP2.79
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.79
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

N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 5166148
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol
CID 77113961
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
2,2-difluoro-3-[[(E)-3-phenylprop-2-enyl]amino]propan-1-ol
CID 104857586
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
2-benzyl-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111492847
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol (CID 111468728) is 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol is CC(O)(CNCC=Cc1ccccc1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol?
The InChIKey is XPBYRMPCZIDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(18,15-10-6-12-19-15)13-17-11-5-9-14-7-3-2-4-8-14/h2-10,12,17-18H,11,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol?
2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol is sourced from PubChem (CID 111468728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).