2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine

C15H21NS — CID 79221501

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1CC1CSc2ccccc21
InChIInChI=1S/C15H21NS/c16-14-7-3-1-5-11(14)9-12-10-17-15-8-4-2-6-13(12)15/h2,4,6,8,11-12,14H,1,3,5,7,9-10,16H2
InChIKeyVCCQFPSHCGLCCS-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.78
Rot. Bonds2

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

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 79221501) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID79221501
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1CC1CSc2ccccc21
InChIInChI=1S/C15H21NS/c16-14-7-3-1-5-11(14)9-12-10-17-15-8-4-2-6-13(12)15/h2,4,6,8,11-12,14H,1,3,5,7,9-10,16H2
InChIKeyVCCQFPSHCGLCCS-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
CID 79221352
3-[(4-bromothiolan-3-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 83190532
3-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214566
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine
CID 81009769
3-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214672
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cycloheptan-1-one
CID 79220650
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-one
CID 104679555
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214670
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine (CID 79221501) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine is NC1CCCCC1CC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is VCCQFPSHCGLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c16-14-7-3-1-5-11(14)9-12-10-17-15-8-4-2-6-13(12)15/h2,4,6,8,11-12,14H,1,3,5,7,9-10,16H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 247.41 g/mol, XLogP of 3.78, 2 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-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79221501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).