1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol

C15H23NO4 — CID 63296623

IUPAC1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNCC(O)C1CC1
InChIInChI=1S/C15H23NO4/c1-19-14-4-2-3-5-15(14)20-10-12(17)8-16-9-13(18)11-6-7-11/h2-5,11-13,16-18H,6-10H2,1H3
InChIKeyCJRZNJXNUDORAY-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.80
Rot. Bonds9

About 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol

1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 63296623) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID63296623
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNCC(O)C1CC1
InChIInChI=1S/C15H23NO4/c1-19-14-4-2-3-5-15(14)20-10-12(17)8-16-9-13(18)11-6-7-11/h2-5,11-13,16-18H,6-10H2,1H3
InChIKeyCJRZNJXNUDORAY-UHFFFAOYSA-N
XLogP0.80
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-(2-bromo-4-methylphenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)amino]propan-2-ol
CID 63296401
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol (CID 63296623) is 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNCC(O)C1CC1.
What is the InChIKey of 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is CJRZNJXNUDORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-19-14-4-2-3-5-15(14)20-10-12(17)8-16-9-13(18)11-6-7-11/h2-5,11-13,16-18H,6-10H2,1H3.
What are the key properties of 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 63296623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).