4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline

C16H16N2S — CID 116936917

IUPAC4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C16H16N2S/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18H,17H2,1H3
InChIKeyPRAZNCULELUYIZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.99
Rot. Bonds3

About 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline

4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline (PubChem CID 116936917) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
PubChem CID116936917
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C16H16N2S/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18H,17H2,1H3
InChIKeyPRAZNCULELUYIZ-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479

Frequently Asked Questions

What is the IUPAC name of 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline (CID 116936917) is 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline is CNc1ccc(C(N)c2csc3ccccc23)cc1.
What is the InChIKey of 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline?
The InChIKey is PRAZNCULELUYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18H,17H2,1H3.
What are the key properties of 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline?
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline has a molecular weight of 268.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116936917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).