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

C17H19NS — CID 105140626

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CSc3ccccc32)c1C
InChIInChI=1S/C17H19NS/c1-11-6-5-8-13(12(11)2)17(18)15-10-19-16-9-4-3-7-14(15)16/h3-9,15,17H,10,18H2,1-2H3
InChIKeyFBWZGRKQKMRDGL-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.19
Rot. Bonds2

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

2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine (PubChem CID 105140626) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
PubChem CID105140626
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CSc3ccccc32)c1C
InChIInChI=1S/C17H19NS/c1-11-6-5-8-13(12(11)2)17(18)15-10-19-16-9-4-3-7-14(15)16/h3-9,15,17H,10,18H2,1-2H3
InChIKeyFBWZGRKQKMRDGL-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
CID 105094887
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
CID 105149588
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine (CID 105140626) is 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)C2CSc3ccccc32)c1C.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine?
The InChIKey is FBWZGRKQKMRDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-11-6-5-8-13(12(11)2)17(18)15-10-19-16-9-4-3-7-14(15)16/h3-9,15,17H,10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine has a molecular weight of 269.41 g/mol, XLogP of 4.19, 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-3-yl-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 105140626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).