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

C13H17NOS — CID 115898792

IUPAC1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNC(C)c1ccco1
InChIInChI=1S/C13H17NOS/c1-10-6-9-16-13(10)5-7-14-11(2)12-4-3-8-15-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyZCVYBGKXNUHXPW-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds5

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

1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 115898792) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID115898792
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNC(C)c1ccco1
InChIInChI=1S/C13H17NOS/c1-10-6-9-16-13(10)5-7-14-11(2)12-4-3-8-15-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyZCVYBGKXNUHXPW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898814
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 115898792) is 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccsc1CCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is ZCVYBGKXNUHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-6-9-16-13(10)5-7-14-11(2)12-4-3-8-15-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
1-(furan-2-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-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115898792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).