3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine

C13H17NS — CID 168764205

IUPAC3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine
SMILESC=C(c1ccc2c(c1)SCC2)C(C)NC
InChIInChI=1S/C13H17NS/c1-9(10(2)14-3)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,14H,1,6-7H2,2-3H3
InChIKeyHHCWIBLSJJPPMJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.96
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine

3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine (PubChem CID 168764205) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine
PubChem CID168764205
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine
SMILESC=C(c1ccc2c(c1)SCC2)C(C)NC
InChIInChI=1S/C13H17NS/c1-9(10(2)14-3)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,14H,1,6-7H2,2-3H3
InChIKeyHHCWIBLSJJPPMJ-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine
CID 168764138
1,1-dichloro-3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylbut-3-en-2-amine
CID 168763849
1-chloro-1-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylpropan-2-amine
CID 168764178
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)-3-fluoropropan-1-one
CID 168764045
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylbutan-2-amine
CID 168764108
3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 168764150
methyl 3,4-dihydro-2H-thiochromene-7-carboxylate
CID 130045362
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
CID 168764187
1-(2,3-dihydro-1-benzothiophen-6-yl)propan-2-amine
CID 117284206
2-(2,3-dihydro-1-benzothiophen-5-yl)-3-(methylamino)butane-1,2-diol
CID 168764012
3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol
CID 168763964
7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563181

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine (CID 168764205) is 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine is C=C(c1ccc2c(c1)SCC2)C(C)NC.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine?
The InChIKey is HHCWIBLSJJPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(10(2)14-3)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,14H,1,6-7H2,2-3H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine?
3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine has a molecular weight of 219.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 168764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).