3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine

C18H21NS — CID 79227438

IUPAC3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCC1Cc2ccccc2S1)c1ccccc1
InChIInChI=1S/C18H21NS/c1-19-17(14-7-3-2-4-8-14)12-11-16-13-15-9-5-6-10-18(15)20-16/h2-10,16-17,19H,11-13H2,1H3
InChIKeyFGPXPXAHTFGFFT-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.44
Rot. Bonds5

About 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine

3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine (PubChem CID 79227438) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine
PubChem CID79227438
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCC1Cc2ccccc2S1)c1ccccc1
InChIInChI=1S/C18H21NS/c1-19-17(14-7-3-2-4-8-14)12-11-16-13-15-9-5-6-10-18(15)20-16/h2-10,16-17,19H,11-13H2,1H3
InChIKeyFGPXPXAHTFGFFT-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzothiophene
CID 79227797
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 79205934
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
CID 79228408
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
CID 81016217
4-(2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
CID 81009486
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-(2-methylpropoxy)methanamine
CID 82715413
2-(3-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79430861

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine (CID 79227438) is 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine is CNC(CCC1Cc2ccccc2S1)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine?
The InChIKey is FGPXPXAHTFGFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-19-17(14-7-3-2-4-8-14)12-11-16-13-15-9-5-6-10-18(15)20-16/h2-10,16-17,19H,11-13H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine?
3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 79227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).