1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C14H17NOS — CID 43485806

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C14H17NOS/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3
InChIKeyCECZXVHZNGBXFN-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.34
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 43485806) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID43485806
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C14H17NOS/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3
InChIKeyCECZXVHZNGBXFN-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 46869266
N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 2971011
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956016
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 54996870
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 61060381
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62436426
1-(3-methyl-1-benzothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826426
N-[(6-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81104447
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82734264
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 92571349
N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 102648845
N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102648876

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 43485806) is 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1csc2ccccc12)C1CCCO1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is CECZXVHZNGBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.34, 3 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-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).