3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine

C16H21NOS — CID 104871139

IUPAC3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)c2sc3ccccc3c2C)C1
InChIInChI=1S/C16H21NOS/c1-10-14-6-4-5-7-15(14)19-16(10)11(2)17-12-8-13(9-12)18-3/h4-7,11-13,17H,8-9H2,1-3H3
InChIKeyJCVNQYPZJMBDIW-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds4

About 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine

3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 104871139) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
PubChem CID104871139
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)c2sc3ccccc3c2C)C1
InChIInChI=1S/C16H21NOS/c1-10-14-6-4-5-7-15(14)19-16(10)11(2)17-12-8-13(9-12)18-3/h4-7,11-13,17H,8-9H2,1-3H3
InChIKeyJCVNQYPZJMBDIW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
CID 63995668
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62962024
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312
1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]but-3-yn-2-amine
CID 114415554
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine (CID 104871139) is 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine is COC1CC(NC(C)c2sc3ccccc3c2C)C1.
What is the InChIKey of 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JCVNQYPZJMBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-14-6-4-5-7-15(14)19-16(10)11(2)17-12-8-13(9-12)18-3/h4-7,11-13,17H,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104871139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).