2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol

C14H19NO2S — CID 54968018

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
SMILESCC(CCc1ccco1)NCC(O)c1cccs1
InChIInChI=1S/C14H19NO2S/c1-11(6-7-12-4-2-8-17-12)15-10-13(16)14-5-3-9-18-14/h2-5,8-9,11,13,15-16H,6-7,10H2,1H3
InChIKeyCZEZOAPIUJDBNC-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.99
Rot. Bonds7

About 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol

2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol (PubChem CID 54968018) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
PubChem CID54968018
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
SMILESCC(CCc1ccco1)NCC(O)c1cccs1
InChIInChI=1S/C14H19NO2S/c1-11(6-7-12-4-2-8-17-12)15-10-13(16)14-5-3-9-18-14/h2-5,8-9,11,13,15-16H,6-7,10H2,1H3
InChIKeyCZEZOAPIUJDBNC-UHFFFAOYSA-N
XLogP2.99
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(furan-2-yl)-1-thiophen-2-ylpropyl]hydrazine
CID 105287508
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
N-(dithiophen-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43776491
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18162547
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol (CID 54968018) is 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol is CC(CCc1ccco1)NCC(O)c1cccs1.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol?
The InChIKey is CZEZOAPIUJDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11(6-7-12-4-2-8-17-12)15-10-13(16)14-5-3-9-18-14/h2-5,8-9,11,13,15-16H,6-7,10H2,1H3.
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol?
2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol has a molecular weight of 265.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 54968018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).