1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

C17H23NOS — CID 63737763

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1csc2ccccc12)CC1CCCO1
InChIInChI=1S/C17H23NOS/c1-2-18-14(11-15-6-5-9-19-15)10-13-12-20-17-8-4-3-7-16(13)17/h3-4,7-8,12,14-15,18H,2,5-6,9-11H2,1H3
InChIKeyWFEWPPOFMFAOMN-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.99
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 63737763) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID63737763
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1csc2ccccc12)CC1CCCO1
InChIInChI=1S/C17H23NOS/c1-2-18-14(11-15-6-5-9-19-15)10-13-12-20-17-8-4-3-7-16(13)17/h3-4,7-8,12,14-15,18H,2,5-6,9-11H2,1H3
InChIKeyWFEWPPOFMFAOMN-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (CID 63737763) is 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is CCNC(Cc1csc2ccccc12)CC1CCCO1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is WFEWPPOFMFAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-2-18-14(11-15-6-5-9-19-15)10-13-12-20-17-8-4-3-7-16(13)17/h3-4,7-8,12,14-15,18H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 63737763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).