1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

C12H21NO3 — CID 61024566

IUPAC1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ccco1
InChIInChI=1S/C12H21NO3/c1-10(2)16-9-11(14)8-13-6-5-12-4-3-7-15-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3
InChIKeyVNNNYDOAVZBTIM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.20
Rot. Bonds8

About 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 61024566) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID61024566
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ccco1
InChIInChI=1S/C12H21NO3/c1-10(2)16-9-11(14)8-13-6-5-12-4-3-7-15-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3
InChIKeyVNNNYDOAVZBTIM-UHFFFAOYSA-N
XLogP1.20
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 164906466
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 61024566) is 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VNNNYDOAVZBTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)16-9-11(14)8-13-6-5-12-4-3-7-15-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 227.30 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 61024566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).