1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol

C14H21NO3 — CID 114616905

IUPAC1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-11(2)8-15-9-12(16)10-18-14-7-5-4-6-13(14)17-3/h4-7,12,15-16H,1,8-10H2,2-3H3
InChIKeyQGDRDOIZNOEMBE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds8

About 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol

1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol (PubChem CID 114616905) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
PubChem CID114616905
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-11(2)8-15-9-12(16)10-18-14-7-5-4-6-13(14)17-3/h4-7,12,15-16H,1,8-10H2,2-3H3
InChIKeyQGDRDOIZNOEMBE-UHFFFAOYSA-N
XLogP1.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
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
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
1-(2-methoxyphenoxy)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81177818
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol (CID 114616905) is 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol is C=C(C)CNCC(O)COc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol?
The InChIKey is QGDRDOIZNOEMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)8-15-9-12(16)10-18-14-7-5-4-6-13(14)17-3/h4-7,12,15-16H,1,8-10H2,2-3H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol?
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol is sourced from PubChem (CID 114616905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).