2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine

C11H13NOSe — CID 168957091

IUPAC2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine
SMILESCOc1ccc2c(CCN)c[se]c2c1
InChIInChI=1S/C11H13NOSe/c1-13-9-2-3-10-8(4-5-12)7-14-11(10)6-9/h2-3,6-7H,4-5,12H2,1H3
InChIKeyFBYLIJXBCDDEKP-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.41
Rot. Bonds3

About 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine

2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine (PubChem CID 168957091) has the molecular formula C11H13NOSe and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine
PubChem CID168957091
Molecular FormulaC11H13NOSe
Molecular Weight254.19 g/mol
Exact Mass255.02
IUPAC Name2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine
SMILESCOc1ccc2c(CCN)c[se]c2c1
InChIInChI=1S/C11H13NOSe/c1-13-9-2-3-10-8(4-5-12)7-14-11(10)6-9/h2-3,6-7H,4-5,12H2,1H3
InChIKeyFBYLIJXBCDDEKP-UHFFFAOYSA-N
XLogP1.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzoselenophen-3-yl)ethanamine
CID 167469332
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine
CID 83854139
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine (CID 168957091) is 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine is COc1ccc2c(CCN)c[se]c2c1.
What is the InChIKey of 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine?
The InChIKey is FBYLIJXBCDDEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOSe/c1-13-9-2-3-10-8(4-5-12)7-14-11(10)6-9/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine?
2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine has a molecular weight of 254.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine is sourced from PubChem (CID 168957091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).