1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

C18H19NS — CID 43485809

IUPAC1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1C)c1csc2ccccc12
InChIInChI=1S/C18H19NS/c1-12-7-6-9-14(13(12)2)18(19-3)16-11-20-17-10-5-4-8-15(16)17/h4-11,18-19H,1-3H3
InChIKeyNKROVVAIGGQONP-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.83
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (PubChem CID 43485809) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
PubChem CID43485809
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1C)c1csc2ccccc12
InChIInChI=1S/C18H19NS/c1-12-7-6-9-14(13(12)2)18(19-3)16-11-20-17-10-5-4-8-15(16)17/h4-11,18-19H,1-3H3
InChIKeyNKROVVAIGGQONP-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-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485769
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844
2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
3-[1-benzothiophen-3-yl(methylamino)methyl]aniline
CID 116951922
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005
1-(7-bromo-1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81480330
1-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043669

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (CID 43485809) is 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is CNC(c1cccc(C)c1C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The InChIKey is NKROVVAIGGQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-12-7-6-9-14(13(12)2)18(19-3)16-11-20-17-10-5-4-8-15(16)17/h4-11,18-19H,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-1-(2,3-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-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43485809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).