N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine

C14H21NS — CID 79318825

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
SMILESCCN(CC1Cc2ccccc2S1)C(C)C
InChIInChI=1S/C14H21NS/c1-4-15(11(2)3)10-13-9-12-7-5-6-8-14(12)16-13/h5-8,11,13H,4,9-10H2,1-3H3
InChIKeyFDFIDRYDYXIHGB-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.43
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine (PubChem CID 79318825) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
PubChem CID79318825
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
SMILESCCN(CC1Cc2ccccc2S1)C(C)C
InChIInChI=1S/C14H21NS/c1-4-15(11(2)3)10-13-9-12-7-5-6-8-14(12)16-13/h5-8,11,13H,4,9-10H2,1-3H3
InChIKeyFDFIDRYDYXIHGB-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine (CID 79318825) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine is CCN(CC1Cc2ccccc2S1)C(C)C.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine?
The InChIKey is FDFIDRYDYXIHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-4-15(11(2)3)10-13-9-12-7-5-6-8-14(12)16-13/h5-8,11,13H,4,9-10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 79318825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).