2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine

C16H23NS — CID 79227445

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-11-6-7-15(17)13(8-11)10-14-9-12-4-2-3-5-16(12)18-14/h2-5,11,13-15H,6-10,17H2,1H3
InChIKeyUVCSMSHRWHYAPT-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 79227445) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
PubChem CID79227445
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-11-6-7-15(17)13(8-11)10-14-9-12-4-2-3-5-16(12)18-14/h2-5,11,13-15H,6-10,17H2,1H3
InChIKeyUVCSMSHRWHYAPT-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
2-[(3-methylcyclohexyl)sulfanylmethyl]-2,3-dihydro-1-benzothiophene
CID 79325761
[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012673
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013247
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
CID 83196720

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine (CID 79227445) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(CC2Cc3ccccc3S2)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is UVCSMSHRWHYAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-11-6-7-15(17)13(8-11)10-14-9-12-4-2-3-5-16(12)18-14/h2-5,11,13-15H,6-10,17H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.86, 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-2-ylmethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 79227445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).