1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol

C17H30N2O2 — CID 43587427

IUPAC1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
SMILESCCC(CC)CN(CC)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C17H30N2O2/c1-4-14(5-2)11-19(6-3)12-16(20)13-21-17-9-7-15(18)8-10-17/h7-10,14,16,20H,4-6,11-13,18H2,1-3H3
InChIKeyHTHONIJSVSFXGY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds10

About 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol

1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol (PubChem CID 43587427) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
PubChem CID43587427
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
SMILESCCC(CC)CN(CC)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C17H30N2O2/c1-4-14(5-2)11-19(6-3)12-16(20)13-21-17-9-7-15(18)8-10-17/h7-10,14,16,20H,4-6,11-13,18H2,1-3H3
InChIKeyHTHONIJSVSFXGY-UHFFFAOYSA-N
XLogP2.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
(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-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
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
2-(4-aminophenoxy)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 61092927
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol (CID 43587427) is 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol is CCC(CC)CN(CC)CC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol?
The InChIKey is HTHONIJSVSFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-14(5-2)11-19(6-3)12-16(20)13-21-17-9-7-15(18)8-10-17/h7-10,14,16,20H,4-6,11-13,18H2,1-3H3.
What are the key properties of 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol?
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol is sourced from PubChem (CID 43587427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).