2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine

C14H17NS — CID 65420177

IUPAC2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-9-6-12(9)13(15)7-10-8-16-14-5-3-2-4-11(10)14/h2-5,8-9,12-13H,6-7,15H2,1H3
InChIKeyPNDJNKZMNNZMLL-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine (PubChem CID 65420177) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
PubChem CID65420177
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-9-6-12(9)13(15)7-10-8-16-14-5-3-2-4-11(10)14/h2-5,8-9,12-13H,6-7,15H2,1H3
InChIKeyPNDJNKZMNNZMLL-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine (CID 65420177) is 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine is CC1CC1C(N)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is PNDJNKZMNNZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-9-6-12(9)13(15)7-10-8-16-14-5-3-2-4-11(10)14/h2-5,8-9,12-13H,6-7,15H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 65420177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).