[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-Dihydro-1-benzothiophen-3-yl)methanamine
CID 21834230
6,11-Dihydrobenzo[c][1]benzothiepin-11-ylmethylazanium chloride
CID 54861
Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-, hydrochloride
CID 11948778
N-methyl-N-[3-(11-methyl-6,11-dihydrodibenzo[b,e]thiepin-6-yl)propyl]amine
CID 14291981
2-Methyl-3-(beta-aminoathyl)-2,3-dihydro-benzo[b]thiophen
CID 83907645
2-Aminodihydrobenzothiophene
CID 89321399
6,11-Dihydrobenzo[c][1]benzothiepin-11-ylmethanamine
CID 54862
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
CID 1716290
(3Z)-3-[2-(4-fluorophenyl)-2,5-dimethyl-1-benzothiophen-3-ylidene]propan-1-amine
CID 58970798
1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 70904246
3-[2-(4-Fluorophenyl)-2,5-dimethyl-1-benzothiophen-3-ylidene]propan-1-amine
CID 73018550
1-cyclohexyl-N-fluoro-3-(2-prop-1-en-2-ylphenyl)sulfanylpropan-2-amine
CID 141922312

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).