N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine

C14H23NO2Se — CID 102312113

IUPACN-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(OC)ccc1[Se]O
InChIInChI=1S/C14H23NO2Se/c1-4-8-15(9-5-2)11-12-10-13(17-3)6-7-14(12)18-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyKURPXVXIHBLQST-UHFFFAOYSA-N
MW316.30 g/mol
LogP1.55
Rot. Bonds8

About N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine

N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine (PubChem CID 102312113) has the molecular formula C14H23NO2Se and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
PubChem CID102312113
Molecular FormulaC14H23NO2Se
Molecular Weight316.30 g/mol
Exact Mass317.09
IUPAC NameN-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(OC)ccc1[Se]O
InChIInChI=1S/C14H23NO2Se/c1-4-8-15(9-5-2)11-12-10-13(17-3)6-7-14(12)18-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyKURPXVXIHBLQST-UHFFFAOYSA-N
XLogP1.55
TPSA32.70 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 ≤ 51.55
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

[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
CID 65323211
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-methoxyphenol
CID 79668627
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine (CID 102312113) is N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(OC)ccc1[Se]O.
What is the InChIKey of N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is KURPXVXIHBLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Se/c1-4-8-15(9-5-2)11-12-10-13(17-3)6-7-14(12)18-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine?
N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 316.30 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 102312113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).