1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

C15H19NOS — CID 55131784

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCOCC1
InChIInChI=1S/C15H19NOS/c1-16-15(11-6-8-17-9-7-11)13-10-18-14-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyHXOZPVDCVWAWLA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 55131784) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID55131784
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCOCC1
InChIInChI=1S/C15H19NOS/c1-16-15(11-6-8-17-9-7-11)13-10-18-14-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyHXOZPVDCVWAWLA-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 81141916
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
3-[1-benzothiophen-3-yl(bromo)methyl]oxolane
CID 61276898
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 55131784) is 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1csc2ccccc12)C1CCOCC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is HXOZPVDCVWAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-16-15(11-6-8-17-9-7-11)13-10-18-14-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.59, 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-(oxan-4-yl)methanamine is sourced from PubChem (CID 55131784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).