1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

C13H22N2O3 — CID 54994996

IUPAC1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3/c1-15(9-12(16)10-17-2)7-8-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10,14H2,1-2H3
InChIKeyRVDGLEIMZGOAFG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.59
Rot. Bonds8

About 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 54994996) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
PubChem CID54994996
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3/c1-15(9-12(16)10-17-2)7-8-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10,14H2,1-2H3
InChIKeyRVDGLEIMZGOAFG-UHFFFAOYSA-N
XLogP0.59
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-[4-(2-hydroxy-3-methoxypropoxy)butoxy]-3-[methyl-[2-(4-methylphenoxy)ethyl]amino]propan-2-ol
CID 156630032
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (CID 54994996) is 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CCOc1ccc(N)cc1.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is RVDGLEIMZGOAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(9-12(16)10-17-2)7-8-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10,14H2,1-2H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 54994996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).