1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol

C15H26N2O3 — CID 79385193

IUPAC1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)COc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C15H26N2O3/c1-4-17(11-15(2,3)19)9-13(18)10-20-14-7-5-12(16)6-8-14/h5-8,13,18-19H,4,9-11,16H2,1-3H3
InChIKeyJLBIQGZYADGNSN-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.10
Rot. Bonds8

About 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol

1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79385193) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79385193
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)COc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C15H26N2O3/c1-4-17(11-15(2,3)19)9-13(18)10-20-14-7-5-12(16)6-8-14/h5-8,13,18-19H,4,9-11,16H2,1-3H3
InChIKeyJLBIQGZYADGNSN-UHFFFAOYSA-N
XLogP1.10
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
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-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
1-[[3-[3-(aminomethyl)phenoxy]-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79380270
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807375
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-(4-aminophenoxy)-3-pentylsulfanylpropan-2-ol
CID 107748428
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol (CID 79385193) is 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(O)COc1ccc(N)cc1)CC(C)(C)O.
What is the InChIKey of 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is JLBIQGZYADGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17(11-15(2,3)19)9-13(18)10-20-14-7-5-12(16)6-8-14/h5-8,13,18-19H,4,9-11,16H2,1-3H3.
What are the key properties of 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79385193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).