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

C19H29NS — CID 81012673

IUPAC[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C19H29NS/c1-13(2)14-7-8-16(12-20)17(9-14)11-18-10-15-5-3-4-6-19(15)21-18/h3-6,13-14,16-18H,7-12,20H2,1-2H3
InChIKeySYKXDCLOXHBMPV-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.74
Rot. Bonds4

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

[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012673) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012673
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C19H29NS/c1-13(2)14-7-8-16(12-20)17(9-14)11-18-10-15-5-3-4-6-19(15)21-18/h3-6,13-14,16-18H,7-12,20H2,1-2H3
InChIKeySYKXDCLOXHBMPV-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 83159637
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
CID 79228637
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylpiperidin-2-yl]methanamine
CID 79228319

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81012673) is [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(CC2Cc3ccccc3S2)C1.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is SYKXDCLOXHBMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-13(2)14-7-8-16(12-20)17(9-14)11-18-10-15-5-3-4-6-19(15)21-18/h3-6,13-14,16-18H,7-12,20H2,1-2H3.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 303.51 g/mol, XLogP of 4.74, 4 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-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).