1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine

C13H17NS — CID 105475037

IUPAC1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3c2SCC3)CC1
InChIInChI=1S/C13H17NS/c14-13(7-8-13)6-4-10-2-1-3-11-5-9-15-12(10)11/h1-3H,4-9,14H2
InChIKeyWICCNWOPJRMUHU-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.76
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine

1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine (PubChem CID 105475037) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
PubChem CID105475037
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3c2SCC3)CC1
InChIInChI=1S/C13H17NS/c14-13(7-8-13)6-4-10-2-1-3-11-5-9-15-12(10)11/h1-3H,4-9,14H2
InChIKeyWICCNWOPJRMUHU-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol
CID 117284873
1-(2-naphthalen-1-ylethyl)cyclopropan-1-amine
CID 23106129
4-(2,3-dihydro-1-benzothiophen-7-yl)butanoic acid
CID 117318569
2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
CID 84706770
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105483024
1-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 115074223
1-[2-(2-methyl-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105468832
1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine
CID 129216190
1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
CID 105497327
3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
CID 84710914
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine (CID 105475037) is 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cccc3c2SCC3)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine?
The InChIKey is WICCNWOPJRMUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c14-13(7-8-13)6-4-10-2-1-3-11-5-9-15-12(10)11/h1-3H,4-9,14H2.
What are the key properties of 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine?
1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).