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

C17H19NOS — CID 105143996

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1Cc2ccccc2S1
InChIInChI=1S/C17H19NOS/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyIKXKODLNXTWPMK-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.72
Rot. Bonds3

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

2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 105143996) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
PubChem CID105143996
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1Cc2ccccc2S1
InChIInChI=1S/C17H19NOS/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyIKXKODLNXTWPMK-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137284
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626167
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine (CID 105143996) is 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is IKXKODLNXTWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-9,16-17H,10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 285.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 105143996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).