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

C18H21NS — CID 79225975

IUPAC3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(CC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NS/c1-19-12-15(14-7-3-2-4-8-14)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,15-16,19H,11-13H2,1H3
InChIKeyGVZJDRCQXSVQAJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.27
Rot. Bonds5

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

3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 79225975) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID79225975
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(CC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NS/c1-19-12-15(14-7-3-2-4-8-14)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,15-16,19H,11-13H2,1H3
InChIKeyGVZJDRCQXSVQAJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79433588
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine
CID 79221531
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
CID 104591357
4-(2,3-dihydro-1-benzothiophen-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81016520
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
2-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propan-2-ylpropan-1-amine
CID 115926687
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-methylphenyl)propanoic acid
CID 79431572
3-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79226883
N-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83139831
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-methyl-1-phenylpropan-1-one
CID 104844996
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67867674

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine (CID 79225975) is 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine is CNCC(CC1CSc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is GVZJDRCQXSVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-19-12-15(14-7-3-2-4-8-14)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,15-16,19H,11-13H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine?
3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.27, 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-3-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 79225975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).