1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine

C18H19NOS — CID 105021845

IUPAC1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1OC)c1cccc2ccsc12
InChIInChI=1S/C18H19NOS/c1-12-7-8-16(20-3)15(11-12)17(19-2)14-6-4-5-13-9-10-21-18(13)14/h4-11,17,19H,1-3H3
InChIKeyNABQPQOLNOKUFY-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.53
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine (PubChem CID 105021845) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
PubChem CID105021845
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1OC)c1cccc2ccsc12
InChIInChI=1S/C18H19NOS/c1-12-7-8-16(20-3)15(11-12)17(19-2)14-6-4-5-13-9-10-21-18(13)14/h4-11,17,19H,1-3H3
InChIKeyNABQPQOLNOKUFY-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine 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)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
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-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine (CID 105021845) is 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1OC)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The InChIKey is NABQPQOLNOKUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-7-8-16(20-3)15(11-12)17(19-2)14-6-4-5-13-9-10-21-18(13)14/h4-11,17,19H,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105021845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).