1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

C16H21NOS — CID 43765466

IUPAC1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCC2CCCO2)sc2ccccc12
InChIInChI=1S/C16H21NOS/c1-11-14-7-3-4-8-15(14)19-16(11)12(2)17-10-13-6-5-9-18-13/h3-4,7-8,12-13,17H,5-6,9-10H2,1-2H3
InChIKeyYLMKCBBMVLJRFP-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 43765466) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID43765466
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCC2CCCO2)sc2ccccc12
InChIInChI=1S/C16H21NOS/c1-11-14-7-3-4-8-15(14)19-16(11)12(2)17-10-13-6-5-9-18-13/h3-4,7-8,12-13,17H,5-6,9-10H2,1-2H3
InChIKeyYLMKCBBMVLJRFP-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)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

1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 62975731
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 43765466) is 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is Cc1c(C(C)NCC2CCCO2)sc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is YLMKCBBMVLJRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-14-7-3-4-8-15(14)19-16(11)12(2)17-10-13-6-5-9-18-13/h3-4,7-8,12-13,17H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43765466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).