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

C16H23NS — CID 79224377

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-12-5-4-8-16(17,10-12)11-14-9-13-6-2-3-7-15(13)18-14/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3
InChIKeyKWHOIELCWLXYLL-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.00
Rot. Bonds2

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

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine (PubChem CID 79224377) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine
PubChem CID79224377
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-12-5-4-8-16(17,10-12)11-14-9-13-6-2-3-7-15(13)18-14/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3
InChIKeyKWHOIELCWLXYLL-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 79226082
2-(aminomethyl)-2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-ol
CID 79223290
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-[(3-methylcyclohexyl)sulfanylmethyl]-2,3-dihydro-1-benzothiophene
CID 79325761
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylpiperidin-2-yl]methanamine
CID 79228319
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
CID 103718556
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
CID 113440410
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine
CID 79452464
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine (CID 79224377) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(CC2Cc3ccccc3S2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine?
The InChIKey is KWHOIELCWLXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-12-5-4-8-16(17,10-12)11-14-9-13-6-2-3-7-15(13)18-14/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79224377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).