1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine

C17H17NS — CID 81153387

IUPAC1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cccc2ccsc12
InChIInChI=1S/C17H17NS/c1-12-5-3-7-14(11-12)16(18-2)15-8-4-6-13-9-10-19-17(13)15/h3-11,16,18H,1-2H3
InChIKeyHFEZDMOELDEESB-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.52
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 81153387) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID81153387
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cccc2ccsc12
InChIInChI=1S/C17H17NS/c1-12-5-3-7-14(11-12)16(18-2)15-8-4-6-13-9-10-19-17(13)15/h3-11,16,18H,1-2H3
InChIKeyHFEZDMOELDEESB-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105021849
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
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
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867
[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201464

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 81153387) is 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is HFEZDMOELDEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-12-5-3-7-14(11-12)16(18-2)15-8-4-6-13-9-10-19-17(13)15/h3-11,16,18H,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 267.40 g/mol, XLogP of 4.52, 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)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 81153387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).