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

C14H24N2O3 — CID 61450020

IUPAC1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)CC(O)COc1cccc(N)c1
InChIInChI=1S/C14H24N2O3/c1-11(9-18-3)16(2)8-13(17)10-19-14-6-4-5-12(15)7-14/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyMNFWZXUWMZCJOO-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.98
Rot. Bonds8

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

1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (PubChem CID 61450020) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
PubChem CID61450020
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)CC(O)COc1cccc(N)c1
InChIInChI=1S/C14H24N2O3/c1-11(9-18-3)16(2)8-13(17)10-19-14-6-4-5-12(15)7-14/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyMNFWZXUWMZCJOO-UHFFFAOYSA-N
XLogP0.98
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61425754
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
3-[[3-(3-aminophenoxy)-2-hydroxypropyl]-methylamino]propanenitrile
CID 43364541
1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61443793
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
3-[2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]benzenecarbothioamide
CID 43290361
3-[3-[1-cyanopropan-2-yl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 63225286
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (CID 61450020) is 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is COCC(C)N(C)CC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The InChIKey is MNFWZXUWMZCJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(9-18-3)16(2)8-13(17)10-19-14-6-4-5-12(15)7-14/h4-7,11,13,17H,8-10,15H2,1-3H3.
What are the key properties of 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 61450020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).