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

C18H21NS — CID 79222167

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-2-7-14-8-3-5-10-17(14)19-13-16-12-15-9-4-6-11-18(15)20-16/h3-6,8-11,16,19H,2,7,12-13H2,1H3
InChIKeyGBOIYUDSCBNZCF-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.77
Rot. Bonds5

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

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline (PubChem CID 79222167) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline
PubChem CID79222167
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-2-7-14-8-3-5-10-17(14)19-13-16-12-15-9-4-6-11-18(15)20-16/h3-6,8-11,16,19H,2,7,12-13H2,1H3
InChIKeyGBOIYUDSCBNZCF-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline (CID 79222167) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline is CCCc1ccccc1NCC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline?
The InChIKey is GBOIYUDSCBNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-7-14-8-3-5-10-17(14)19-13-16-12-15-9-4-6-11-18(15)20-16/h3-6,8-11,16,19H,2,7,12-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline has a molecular weight of 283.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline is sourced from PubChem (CID 79222167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).