N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline

C17H19NOS — CID 79220930

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
SMILESCCOc1cccc(NCC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NOS/c1-2-19-15-7-5-6-14(10-15)18-11-13-12-20-17-9-4-3-8-16(13)17/h3-10,13,18H,2,11-12H2,1H3
InChIKeyPXVRJMUYYPJTOB-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.39
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline (PubChem CID 79220930) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
PubChem CID79220930
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
SMILESCCOc1cccc(NCC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NOS/c1-2-19-15-7-5-6-14(10-15)18-11-13-12-20-17-9-4-3-8-16(13)17/h3-10,13,18H,2,11-12H2,1H3
InChIKeyPXVRJMUYYPJTOB-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514
N-tert-butyl-3-ethoxyaniline
CID 58745523
2-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methoxyaniline
CID 79221632
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
3-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylaniline
CID 107633521
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
3-ethoxy-N-propylaniline
CID 54800867

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline (CID 79220930) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline is CCOc1cccc(NCC2CSc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline?
The InChIKey is PXVRJMUYYPJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-19-15-7-5-6-14(10-15)18-11-13-12-20-17-9-4-3-8-16(13)17/h3-10,13,18H,2,11-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline has a molecular weight of 285.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 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)-3-ethoxyaniline is sourced from PubChem (CID 79220930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).