1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine

C13H17NS — CID 79213522

IUPAC1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
SMILESc1ccc2c(c1)SCC2CNCC1CC1
InChIInChI=1S/C13H17NS/c1-2-4-13-12(3-1)11(9-15-13)8-14-7-10-5-6-10/h1-4,10-11,14H,5-9H2
InChIKeyJTFOAVYYLHDOEL-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine

1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine (PubChem CID 79213522) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
PubChem CID79213522
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
SMILESc1ccc2c(c1)SCC2CNCC1CC1
InChIInChI=1S/C13H17NS/c1-2-4-13-12(3-1)11(9-15-13)8-14-7-10-5-6-10/h1-4,10-11,14H,5-9H2
InChIKeyJTFOAVYYLHDOEL-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 79221307
1-(3-chlorocyclohexyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 106122919
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
CID 79221459
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
4-[(2,3-dihydro-1-benzothiophen-3-ylmethylamino)methyl]phenol
CID 114331697
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoic acid
CID 79221635
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79227088

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine (CID 79213522) is 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine is c1ccc2c(c1)SCC2CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine?
The InChIKey is JTFOAVYYLHDOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-2-4-13-12(3-1)11(9-15-13)8-14-7-10-5-6-10/h1-4,10-11,14H,5-9H2.
What are the key properties of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine?
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine has a molecular weight of 219.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 79213522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).