4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine

C13H17NOS — CID 43182405

IUPAC4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccsc1
InChIInChI=1S/C13H17NOS/c1-11(4-5-13-3-2-7-15-13)14-9-12-6-8-16-10-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3
InChIKeyMIFDWRNWTANQDE-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.45
Rot. Bonds6

About 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine

4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 43182405) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID43182405
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccsc1
InChIInChI=1S/C13H17NOS/c1-11(4-5-13-3-2-7-15-13)14-9-12-6-8-16-10-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3
InChIKeyMIFDWRNWTANQDE-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine (CID 43182405) is 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine is CC(CCc1ccco1)NCc1ccsc1.
What is the InChIKey of 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is MIFDWRNWTANQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-11(4-5-13-3-2-7-15-13)14-9-12-6-8-16-10-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3.
What are the key properties of 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 43182405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).