1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

C13H22N2O3 — CID 154089660

IUPAC1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(N)c(OCC(O)CNC(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-9(2)15-7-10(16)8-18-13-6-11(17-3)4-5-12(13)14/h4-6,9-10,15-16H,7-8,14H2,1-3H3
InChIKeySCLDWGHNIIKRGZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.02
Rot. Bonds7

About 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 154089660) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID154089660
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(N)c(OCC(O)CNC(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-9(2)15-7-10(16)8-18-13-6-11(17-3)4-5-12(13)14/h4-6,9-10,15-16H,7-8,14H2,1-3H3
InChIKeySCLDWGHNIIKRGZ-UHFFFAOYSA-N
XLogP1.02
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
1-(2,3-diamino-5-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;trihydrochloride
CID 70531936
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 154089660) is 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is COc1ccc(N)c(OCC(O)CNC(C)C)c1.
What is the InChIKey of 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SCLDWGHNIIKRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)15-7-10(16)8-18-13-6-11(17-3)4-5-12(13)14/h4-6,9-10,15-16H,7-8,14H2,1-3H3.
What are the key properties of 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 154089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).