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

C16H23NS — CID 79224118

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-17-14-7-4-5-12(9-14)10-15-11-13-6-2-3-8-16(13)18-15/h2-3,6,8,12,14-15,17H,4-5,7,9-11H2,1H3
InChIKeyKKRCNTQOZUNFOB-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.87
Rot. Bonds3

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 79224118) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID79224118
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-17-14-7-4-5-12(9-14)10-15-11-13-6-2-3-8-16(13)18-15/h2-3,6,8,12,14-15,17H,4-5,7,9-11H2,1H3
InChIKeyKKRCNTQOZUNFOB-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
CID 79223018
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 113440439
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
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-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107412803
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
2-[(3-methylcyclohexyl)sulfanylmethyl]-2,3-dihydro-1-benzothiophene
CID 79325761

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine (CID 79224118) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine is CNC1CCCC(CC2Cc3ccccc3S2)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is KKRCNTQOZUNFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-17-14-7-4-5-12(9-14)10-15-11-13-6-2-3-8-16(13)18-15/h2-3,6,8,12,14-15,17H,4-5,7,9-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79224118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).