1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

C18H19NS — CID 105021764

IUPAC1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cccc2ccsc12
InChIInChI=1S/C18H19NS/c1-12-7-8-15(13(2)11-12)17(19-3)16-6-4-5-14-9-10-20-18(14)16/h4-11,17,19H,1-3H3
InChIKeyXNYAWQOBLBKPNO-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.83
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 105021764) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID105021764
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cccc2ccsc12
InChIInChI=1S/C18H19NS/c1-12-7-8-15(13(2)11-12)17(19-3)16-6-4-5-14-9-10-20-18(14)16/h4-11,17,19H,1-3H3
InChIKeyXNYAWQOBLBKPNO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 105021764) is 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)cc1C)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is XNYAWQOBLBKPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-12-7-8-15(13(2)11-12)17(19-3)16-6-4-5-14-9-10-20-18(14)16/h4-11,17,19H,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 281.42 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).