N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C13H17NOS — CID 61079126

IUPACN-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccco1
InChIInChI=1S/C13H17NOS/c1-2-6-14-12(13-4-3-7-15-13)9-11-5-8-16-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3
InChIKeyWLILTFAOVKPNRM-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.62
Rot. Bonds6

About N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61079126) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61079126
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccco1
InChIInChI=1S/C13H17NOS/c1-2-6-14-12(13-4-3-7-15-13)9-11-5-8-16-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3
InChIKeyWLILTFAOVKPNRM-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079304

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61079126) is N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is WLILTFAOVKPNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-2-6-14-12(13-4-3-7-15-13)9-11-5-8-16-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3.
What are the key properties of N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61079126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).