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

C15H26N2O2 — CID 61425754

IUPAC1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)COc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-12(2)7-8-17(3)10-14(18)11-19-15-6-4-5-13(16)9-15/h4-6,9,12,14,18H,7-8,10-11,16H2,1-3H3
InChIKeyYDVNKWCSFCSKNU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.99
Rot. Bonds8

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

1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol (PubChem CID 61425754) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
PubChem CID61425754
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)COc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-12(2)7-8-17(3)10-14(18)11-19-15-6-4-5-13(16)9-15/h4-6,9,12,14,18H,7-8,10-11,16H2,1-3H3
InChIKeyYDVNKWCSFCSKNU-UHFFFAOYSA-N
XLogP1.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(3-aminophenoxy)-2-hydroxypropyl]-methylamino]propanenitrile
CID 43364541
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61443793
1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
CID 102860471
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol (CID 61425754) is 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol is CC(C)CCN(C)CC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The InChIKey is YDVNKWCSFCSKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)7-8-17(3)10-14(18)11-19-15-6-4-5-13(16)9-15/h4-6,9,12,14,18H,7-8,10-11,16H2,1-3H3.
What are the key properties of 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol?
1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 61425754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).