1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine

C12H19NO2Se — CID 89396995

IUPAC1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)c([Se]C)c1
InChIInChI=1S/C12H19NO2Se/c1-8(13)5-9-6-10(14-2)7-11(16-4)12(9)15-3/h6-8H,5,13H2,1-4H3
InChIKeyWFKLYMSMWXBGMF-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.97
Rot. Bonds5

About 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine

1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine (PubChem CID 89396995) has the molecular formula C12H19NO2Se and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine
PubChem CID89396995
Molecular FormulaC12H19NO2Se
Molecular Weight288.25 g/mol
Exact Mass289.06
IUPAC Name1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)c([Se]C)c1
InChIInChI=1S/C12H19NO2Se/c1-8(13)5-9-6-10(14-2)7-11(16-4)12(9)15-3/h6-8H,5,13H2,1-4H3
InChIKeyWFKLYMSMWXBGMF-UHFFFAOYSA-N
XLogP0.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453
(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
CID 71236355
1-[3-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]propan-2-amine
CID 71236348
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 117402228
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine?
The IUPAC name of 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine (CID 89396995) is 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine is COc1cc(CC(C)N)c(OC)c([Se]C)c1.
What is the InChIKey of 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine?
The InChIKey is WFKLYMSMWXBGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Se/c1-8(13)5-9-6-10(14-2)7-11(16-4)12(9)15-3/h6-8H,5,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine?
1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine has a molecular weight of 288.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine is sourced from PubChem (CID 89396995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).