N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine

C15H23NOS — CID 79315742

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1CSc2ccccc21)C(C)COC
InChIInChI=1S/C15H23NOS/c1-4-16(12(2)10-17-3)9-13-11-18-15-8-6-5-7-14(13)15/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyXPBWOIOAHJCTDL-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.23
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine (PubChem CID 79315742) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine
PubChem CID79315742
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1CSc2ccccc21)C(C)COC
InChIInChI=1S/C15H23NOS/c1-4-16(12(2)10-17-3)9-13-11-18-15-8-6-5-7-14(13)15/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyXPBWOIOAHJCTDL-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82960217
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 79220704
N-(2-bromoethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pentan-3-amine
CID 80691843
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxypropan-1-amine
CID 79226059
3-(3-chlorobutyl)-2,3-dihydro-1-benzothiophene
CID 79221601
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-fluoroaniline
CID 79315604
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanenitrile
CID 79220946
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(2-methoxyethyl)amino]acetic acid
CID 79221506
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine (CID 79315742) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine is CCN(CC1CSc2ccccc21)C(C)COC.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is XPBWOIOAHJCTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-16(12(2)10-17-3)9-13-11-18-15-8-6-5-7-14(13)15/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 79315742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).