2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine

C17H19NS — CID 105096694

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2Cc3ccccc3S2)c1
InChIInChI=1S/C17H19NS/c1-11-7-12(2)9-14(8-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyJLXJVUDBRVXVSH-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.02
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine

2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine (PubChem CID 105096694) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
PubChem CID105096694
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2Cc3ccccc3S2)c1
InChIInChI=1S/C17H19NS/c1-11-7-12(2)9-14(8-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyJLXJVUDBRVXVSH-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097285
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 105090537

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine (CID 105096694) is 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)C2Cc3ccccc3S2)c1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine?
The InChIKey is JLXJVUDBRVXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-11-7-12(2)9-14(8-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine has a molecular weight of 269.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105096694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).