2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine

C14H23NO2Se — CID 171534567

IUPAC2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCCC[Se]c1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C14H23NO2Se/c1-4-5-8-18-14-10-12(16-2)11(6-7-15)9-13(14)17-3/h9-10H,4-8,15H2,1-3H3
InChIKeyXKDPUFRMFSZQKI-UHFFFAOYSA-N
MW316.30 g/mol
LogP1.75
Rot. Bonds8

About 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine

2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine (PubChem CID 171534567) has the molecular formula C14H23NO2Se and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine
PubChem CID171534567
Molecular FormulaC14H23NO2Se
Molecular Weight316.30 g/mol
Exact Mass317.09
IUPAC Name2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCCC[Se]c1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C14H23NO2Se/c1-4-5-8-18-14-10-12(16-2)11(6-7-15)9-13(14)17-3/h9-10H,4-8,15H2,1-3H3
InChIKeyXKDPUFRMFSZQKI-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-difluoroethylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534515
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534553
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
2-[4-(1,1-difluorohexylsulfonyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534666
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-cyclopropylsulfanyl-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493482
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
2-(2,5-dimethoxy-4-prop-1-ynylphenyl)ethanamine
CID 171652322

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine (CID 171534567) is 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine is CCCC[Se]c1cc(OC)c(CCN)cc1OC.
What is the InChIKey of 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is XKDPUFRMFSZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Se/c1-4-5-8-18-14-10-12(16-2)11(6-7-15)9-13(14)17-3/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine?
2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 316.30 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 171534567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).