N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine

C13H17NOS — CID 115722148

IUPACN-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
SMILESCC(CNC(C)c1ccoc1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-10(13-4-3-7-16-13)8-14-11(2)12-5-6-15-9-12/h3-7,9-11,14H,8H2,1-2H3
InChIKeyKDDQSFZYSFRTPA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.80
Rot. Bonds5

About N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine

N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine (PubChem CID 115722148) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
PubChem CID115722148
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
SMILESCC(CNC(C)c1ccoc1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-10(13-4-3-7-16-13)8-14-11(2)12-5-6-15-9-12/h3-7,9-11,14H,8H2,1-2H3
InChIKeyKDDQSFZYSFRTPA-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722142
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine (CID 115722148) is N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine is CC(CNC(C)c1ccoc1)c1cccs1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The InChIKey is KDDQSFZYSFRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10(13-4-3-7-16-13)8-14-11(2)12-5-6-15-9-12/h3-7,9-11,14H,8H2,1-2H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115722148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).