2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine

C19H27NS — CID 65423179

IUPAC2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H27NS/c1-2-5-14-8-10-15(11-9-14)18(20)12-16-13-21-19-7-4-3-6-17(16)19/h3-4,6-7,13-15,18H,2,5,8-12,20H2,1H3
InChIKeyFGYBJTVSJVRTMP-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.38
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65423179) 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-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
PubChem CID65423179
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H27NS/c1-2-5-14-8-10-15(11-9-14)18(20)12-16-13-21-19-7-4-3-6-17(16)19/h3-4,6-7,13-15,18H,2,5,8-12,20H2,1H3
InChIKeyFGYBJTVSJVRTMP-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
3-[(4-butylcyclohexyl)-chloromethyl]-1-benzothiophene
CID 63432704
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine (CID 65423179) is 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(N)Cc2csc3ccccc23)CC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is FGYBJTVSJVRTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-2-5-14-8-10-15(11-9-14)18(20)12-16-13-21-19-7-4-3-6-17(16)19/h3-4,6-7,13-15,18H,2,5,8-12,20H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.38, 5 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-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65423179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).