1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine

C17H17NO2S — CID 105021986

IUPAC1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc3ccsc23)c(OC)c1
InChIInChI=1S/C17H17NO2S/c1-19-12-6-7-13(15(10-12)20-2)16(18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16H,18H2,1-2H3
InChIKeyUSPFTVDBKMYMEM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.97
Rot. Bonds4

About 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine

1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine (PubChem CID 105021986) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
PubChem CID105021986
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc3ccsc23)c(OC)c1
InChIInChI=1S/C17H17NO2S/c1-19-12-6-7-13(15(10-12)20-2)16(18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16H,18H2,1-2H3
InChIKeyUSPFTVDBKMYMEM-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105021772
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
1-benzothiophen-7-yl-(2-bromo-5-methylphenyl)methanamine
CID 105022123
1-benzothiophen-7-yl-(4-bromo-2-methylphenyl)methanamine
CID 105021831
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine (CID 105021986) is 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2cccc3ccsc23)c(OC)c1.
What is the InChIKey of 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is USPFTVDBKMYMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-19-12-6-7-13(15(10-12)20-2)16(18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16H,18H2,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine?
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 299.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105021986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).