1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol

C15H26N2O3 — CID 81058463

IUPAC1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
SMILESCC(C)OCCN(C)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3/c1-12(2)19-9-8-17(3)10-14(18)11-20-15-6-4-13(16)5-7-15/h4-7,12,14,18H,8-11,16H2,1-3H3
InChIKeyBQNDREOVSBDAKA-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.37
Rot. Bonds9

About 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol

1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol (PubChem CID 81058463) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
PubChem CID81058463
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
SMILESCC(C)OCCN(C)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3/c1-12(2)19-9-8-17(3)10-14(18)11-20-15-6-4-13(16)5-7-15/h4-7,12,14,18H,8-11,16H2,1-3H3
InChIKeyBQNDREOVSBDAKA-UHFFFAOYSA-N
XLogP1.37
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.37
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-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
4-[2-hydroxy-3-[methyl(propyl)amino]propoxy]benzonitrile
CID 43289032
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61425754

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol (CID 81058463) is 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol is CC(C)OCCN(C)CC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The InChIKey is BQNDREOVSBDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)19-9-8-17(3)10-14(18)11-20-15-6-4-13(16)5-7-15/h4-7,12,14,18H,8-11,16H2,1-3H3.
What are the key properties of 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol is sourced from PubChem (CID 81058463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).