[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine

C17H17NO2S — CID 117179697

IUPAC[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
SMILESCOc1ccccc1OCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C17H17NO2S/c1-19-15-4-2-3-5-16(15)20-11-14-9-13-7-6-12(10-18)8-17(13)21-14/h2-9H,10-11,18H2,1H3
InChIKeyQHBCMZSARASTRI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.95
Rot. Bonds5

About [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine

[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine (PubChem CID 117179697) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
PubChem CID117179697
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
SMILESCOc1ccccc1OCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C17H17NO2S/c1-19-15-4-2-3-5-16(15)20-11-14-9-13-7-6-12(10-18)8-17(13)21-14/h2-9H,10-11,18H2,1H3
InChIKeyQHBCMZSARASTRI-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

[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
CID 117179712
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
CID 117179784
[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
CID 117176290
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene
CID 117179791
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
CID 75452842
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine (CID 117179697) is [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine is COc1ccccc1OCc1cc2ccc(CN)cc2s1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The InChIKey is QHBCMZSARASTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-19-15-4-2-3-5-16(15)20-11-14-9-13-7-6-12(10-18)8-17(13)21-14/h2-9H,10-11,18H2,1H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]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-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine is sourced from PubChem (CID 117179697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).