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

C17H23NOS — CID 65328369

IUPACN-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc2ccccc12)C1CCCO1
InChIInChI=1S/C17H23NOS/c1-2-9-18-15(16-7-5-10-19-16)11-13-12-20-17-8-4-3-6-14(13)17/h3-4,6,8,12,15-16,18H,2,5,7,9-11H2,1H3
InChIKeyLDSHTGZFTWLZKO-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.99
Rot. Bonds6

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

N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 65328369) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID65328369
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc2ccccc12)C1CCCO1
InChIInChI=1S/C17H23NOS/c1-2-9-18-15(16-7-5-10-19-16)11-13-12-20-17-8-4-3-6-14(13)17/h3-4,6,8,12,15-16,18H,2,5,7,9-11H2,1H3
InChIKeyLDSHTGZFTWLZKO-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

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94120382
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine (CID 65328369) is N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1csc2ccccc12)C1CCCO1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is LDSHTGZFTWLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-2-9-18-15(16-7-5-10-19-16)11-13-12-20-17-8-4-3-6-14(13)17/h3-4,6,8,12,15-16,18H,2,5,7,9-11H2,1H3.
What are the key properties of N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-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 N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65328369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).