2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C19H27NS — CID 65424756

IUPAC2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H27NS/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-12-21-19-6-4-3-5-17(16)19/h3-6,12-15,18H,7-11,20H2,1-2H3
InChIKeySLBUSMIBLLBBEM-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.23
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65424756) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65424756
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H27NS/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-12-21-19-6-4-3-5-17(16)19/h3-6,12-15,18H,7-11,20H2,1-2H3
InChIKeySLBUSMIBLLBBEM-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65424756) is 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine is CC(C)C1CCC(C(N)Cc2csc3ccccc23)CC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is SLBUSMIBLLBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-12-21-19-6-4-3-5-17(16)19/h3-6,12-15,18H,7-11,20H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65424756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).