N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine

C16H21NOS — CID 81153210

IUPACN-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1CCOCC1
InChIInChI=1S/C16H21NOS/c1-2-17-15(12-6-9-18-10-7-12)14-5-3-4-13-8-11-19-16(13)14/h3-5,8,11-12,15,17H,2,6-7,9-10H2,1H3
InChIKeyDUANWZQDCMMFIX-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.98
Rot. Bonds4

About N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine (PubChem CID 81153210) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
PubChem CID81153210
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1CCOCC1
InChIInChI=1S/C16H21NOS/c1-2-17-15(12-6-9-18-10-7-12)14-5-3-4-13-8-11-19-16(13)14/h3-5,8,11-12,15,17H,2,6-7,9-10H2,1H3
InChIKeyDUANWZQDCMMFIX-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]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-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine (CID 81153210) is N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine is CCNC(c1cccc2ccsc12)C1CCOCC1.
What is the InChIKey of N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine?
The InChIKey is DUANWZQDCMMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-17-15(12-6-9-18-10-7-12)14-5-3-4-13-8-11-19-16(13)14/h3-5,8,11-12,15,17H,2,6-7,9-10H2,1H3.
What are the key properties of N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 81153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).