N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine

C18H21NS — CID 105094696

IUPACN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-3-19-18(15-10-6-4-8-13(15)2)17-12-14-9-5-7-11-16(14)20-17/h4-11,17-19H,3,12H2,1-2H3
InChIKeyDSVGUJPKJHMEKU-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.36
Rot. Bonds4

About N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine

N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine (PubChem CID 105094696) 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-yl-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
PubChem CID105094696
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-3-19-18(15-10-6-4-8-13(15)2)17-12-14-9-5-7-11-16(14)20-17/h4-11,17-19H,3,12H2,1-2H3
InChIKeyDSVGUJPKJHMEKU-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
N-[(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 106647961
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652995
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105102365

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine (CID 105094696) is N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)C1Cc2ccccc2S1.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine?
The InChIKey is DSVGUJPKJHMEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-19-18(15-10-6-4-8-13(15)2)17-12-14-9-5-7-11-16(14)20-17/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.36, 4 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-yl-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105094696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).