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

C19H23NS — CID 105094887

IUPACN-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1CSc2ccccc21
InChIInChI=1S/C19H23NS/c1-3-12-20-19(15-9-5-4-8-14(15)2)17-13-21-18-11-7-6-10-16(17)18/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeyVEVBVRPCKDXZFH-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.93
Rot. Bonds5

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

N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 105094887) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
PubChem CID105094887
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1CSc2ccccc21
InChIInChI=1S/C19H23NS/c1-3-12-20-19(15-9-5-4-8-14(15)2)17-13-21-18-11-7-6-10-16(17)18/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeyVEVBVRPCKDXZFH-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 105140590
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-2-yl)methyl]propan-1-amine
CID 105147042
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2,3-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105150794
N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165478
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105181597
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
CID 105146656

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine (CID 105094887) is N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)C1CSc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is VEVBVRPCKDXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-3-12-20-19(15-9-5-4-8-14(15)2)17-13-21-18-11-7-6-10-16(17)18/h4-11,17,19-20H,3,12-13H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.93, 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-3-yl-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105094887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).