[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine

C17H17NO2S — CID 63743487

IUPAC[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1csc2ccccc12
InChIInChI=1S/C17H17NO2S/c1-19-15-7-4-5-12(9-18)17(15)20-10-13-11-21-16-8-3-2-6-14(13)16/h2-8,11H,9-10,18H2,1H3
InChIKeyRDCXZOWKPSKGAN-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.95
Rot. Bonds5

About [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine

[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine (PubChem CID 63743487) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
PubChem CID63743487
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1csc2ccccc12
InChIInChI=1S/C17H17NO2S/c1-19-15-7-4-5-12(9-18)17(15)20-10-13-11-21-16-8-3-2-6-14(13)16/h2-8,11H,9-10,18H2,1H3
InChIKeyRDCXZOWKPSKGAN-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952256
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781
5-fluoro-3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117174725
2-(1-benzothiophen-3-ylmethoxy)benzenecarbothioamide
CID 63744852
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-benzothiophene
CID 63737043

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine (CID 63743487) is [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OCc1csc2ccccc12.
What is the InChIKey of [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine?
The InChIKey is RDCXZOWKPSKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-19-15-7-4-5-12(9-18)17(15)20-10-13-11-21-16-8-3-2-6-14(13)16/h2-8,11H,9-10,18H2,1H3.
What are the key properties of [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine?
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine has a molecular weight of 299.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 63743487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).