1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol

C14H26N2O3 — CID 70528605

IUPAC1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
SMILESCC(C)NCC(O)COc1ccc(N)cc1.CCO
InChIInChI=1S/C12H20N2O2.C2H6O/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12;1-2-3/h3-6,9,11,14-15H,7-8,13H2,1-2H3;3H,2H2,1H3
InChIKeyYKKQLPZFWQPZAU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.01
Rot. Bonds6

About 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol

1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol (PubChem CID 70528605) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
PubChem CID70528605
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
SMILESCC(C)NCC(O)COc1ccc(N)cc1.CCO
InChIInChI=1S/C12H20N2O2.C2H6O/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12;1-2-3/h3-6,9,11,14-15H,7-8,13H2,1-2H3;3H,2H2,1H3
InChIKeyYKKQLPZFWQPZAU-UHFFFAOYSA-N
XLogP1.01
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.01
H-Bond Donors ≤ 54
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

(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-[4-(2-ethylsulfanylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 71364968
ethyl 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
CID 93090283
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol?
The IUPAC name of 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol (CID 70528605) is 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol is CC(C)NCC(O)COc1ccc(N)cc1.CCO.
What is the InChIKey of 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol?
The InChIKey is YKKQLPZFWQPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C2H6O/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12;1-2-3/h3-6,9,11,14-15H,7-8,13H2,1-2H3;3H,2H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol?
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol has a molecular weight of 270.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol is sourced from PubChem (CID 70528605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).