N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C16H21NOS — CID 81301407

IUPACN-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(NCCc1ccco1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H21NOS/c1-12(17-9-8-14-6-4-10-18-14)16-11-13-5-2-3-7-15(13)19-16/h4,6,10-12,17H,2-3,5,7-9H2,1H3
InChIKeyPLYNXPSFVCVIKS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 81301407) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID81301407
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(NCCc1ccco1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H21NOS/c1-12(17-9-8-14-6-4-10-18-14)16-11-13-5-2-3-7-15(13)19-16/h4,6,10-12,17H,2-3,5,7-9H2,1H3
InChIKeyPLYNXPSFVCVIKS-UHFFFAOYSA-N
XLogP4.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)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

N-(2-pyridin-4-ylethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81343232
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
3,3,3-trifluoro-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 81344023
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81345295
N-[2-(furan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24542540
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81327053
1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515385
N-[3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 103776584
3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 81302221
3-[2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781932

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 81301407) is N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is CC(NCCc1ccco1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is PLYNXPSFVCVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(17-9-8-14-6-4-10-18-14)16-11-13-5-2-3-7-15(13)19-16/h4,6,10-12,17H,2-3,5,7-9H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 81301407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).