1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

C17H23NOS — CID 116762819

IUPAC1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc2ccsc12)C1(OC)CCCCC1
InChIInChI=1S/C17H23NOS/c1-18-16(17(19-2)10-4-3-5-11-17)14-8-6-7-13-9-12-20-15(13)14/h6-9,12,16,18H,3-5,10-11H2,1-2H3
InChIKeyRZLSDLOXZDSJLK-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.51
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (PubChem CID 116762819) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
PubChem CID116762819
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc2ccsc12)C1(OC)CCCCC1
InChIInChI=1S/C17H23NOS/c1-18-16(17(19-2)10-4-3-5-11-17)14-8-6-7-13-9-12-20-15(13)14/h6-9,12,16,18H,3-5,10-11H2,1-2H3
InChIKeyRZLSDLOXZDSJLK-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
CID 116770542
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (CID 116762819) is 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is CNC(c1cccc2ccsc12)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The InChIKey is RZLSDLOXZDSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-18-16(17(19-2)10-4-3-5-11-17)14-8-6-7-13-9-12-20-15(13)14/h6-9,12,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116762819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).