[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine

C17H25NS — CID 81009769

IUPAC[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(CC2CSc3ccccc32)C1
InChIInChI=1S/C17H25NS/c1-12-6-7-13(10-18)14(8-12)9-15-11-19-17-5-3-2-4-16(15)17/h2-5,12-15H,6-11,18H2,1H3
InChIKeyHIQZXEQKHHBNHN-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.28
Rot. Bonds3

About [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine

[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine (PubChem CID 81009769) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine
PubChem CID81009769
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(CC2CSc3ccccc32)C1
InChIInChI=1S/C17H25NS/c1-12-6-7-13(10-18)14(8-12)9-15-11-19-17-5-3-2-4-16(15)17/h2-5,12-15H,6-11,18H2,1H3
InChIKeyHIQZXEQKHHBNHN-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine (CID 81009769) is [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(CC2CSc3ccccc32)C1.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine?
The InChIKey is HIQZXEQKHHBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-12-6-7-13(10-18)14(8-12)9-15-11-19-17-5-3-2-4-16(15)17/h2-5,12-15H,6-11,18H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine?
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 4.28, 3 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)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81009769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).