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

C18H27NS — CID 79229011

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C18H27NS/c1-2-19-17-10-5-3-4-8-14(17)12-16-13-15-9-6-7-11-18(15)20-16/h6-7,9,11,14,16-17,19H,2-5,8,10,12-13H2,1H3
InChIKeyBSRKRYVONIFUKO-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.65
Rot. Bonds4

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

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine (PubChem CID 79229011) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
PubChem CID79229011
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C18H27NS/c1-2-19-17-10-5-3-4-8-14(17)12-16-13-15-9-6-7-11-18(15)20-16/h6-7,9,11,14,16-17,19H,2-5,8,10,12-13H2,1H3
InChIKeyBSRKRYVONIFUKO-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
CID 83196720
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
CID 79221352
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 79224118
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
CID 79228612
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013247

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine (CID 79229011) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine?
The InChIKey is BSRKRYVONIFUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-19-17-10-5-3-4-8-14(17)12-16-13-15-9-6-7-11-18(15)20-16/h6-7,9,11,14,16-17,19H,2-5,8,10,12-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 79229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).