1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

C13H17NOS — CID 115898804

IUPAC1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNC(C)c1ccoc1
InChIInChI=1S/C13H17NOS/c1-10-5-8-16-13(10)3-6-14-11(2)12-4-7-15-9-12/h4-5,7-9,11,14H,3,6H2,1-2H3
InChIKeyKDLDEJXGQJVPQX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds5

About 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 115898804) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID115898804
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNC(C)c1ccoc1
InChIInChI=1S/C13H17NOS/c1-10-5-8-16-13(10)3-6-14-11(2)12-4-7-15-9-12/h4-5,7-9,11,14H,3,6H2,1-2H3
InChIKeyKDLDEJXGQJVPQX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898814
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
1-(furan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 113259789
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113260923
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 115898804) is 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccsc1CCNC(C)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is KDLDEJXGQJVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-5-8-16-13(10)3-6-14-11(2)12-4-7-15-9-12/h4-5,7-9,11,14H,3,6H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115898804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).