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

C14H19NOS — CID 54962630

IUPACN-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NC(C)c1ccco1)c1cccs1
InChIInChI=1S/C14H19NOS/c1-3-6-12(14-8-5-10-17-14)15-11(2)13-7-4-9-16-13/h4-5,7-12,15H,3,6H2,1-2H3
InChIKeyXKENULSTLHZSIZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP4.53
Rot. Bonds6

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

N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 54962630) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID54962630
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NC(C)c1ccco1)c1cccs1
InChIInChI=1S/C14H19NOS/c1-3-6-12(14-8-5-10-17-14)15-11(2)13-7-4-9-16-13/h4-5,7-12,15H,3,6H2,1-2H3
InChIKeyXKENULSTLHZSIZ-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403560
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-nitrophenyl)butan-1-amine
CID 81393267
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (CID 54962630) is N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NC(C)c1ccco1)c1cccs1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is XKENULSTLHZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-6-12(14-8-5-10-17-14)15-11(2)13-7-4-9-16-13/h4-5,7-12,15H,3,6H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 4.53, 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)ethyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 54962630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).