1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C14H23NO3 — CID 155667891

IUPAC1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(C(C)O)cc1
InChIInChI=1S/C14H23NO3/c1-10(2)15-8-13(17)9-18-14-6-4-12(5-7-14)11(3)16/h4-7,10-11,13,15-17H,8-9H2,1-3H3
InChIKeyZXJHLLKDTZIYLX-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.48
Rot. Bonds7

About 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 155667891) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID155667891
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(C(C)O)cc1
InChIInChI=1S/C14H23NO3/c1-10(2)15-8-13(17)9-18-14-6-4-12(5-7-14)11(3)16/h4-7,10-11,13,15-17H,8-9H2,1-3H3
InChIKeyZXJHLLKDTZIYLX-UHFFFAOYSA-N
XLogP1.48
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12760476
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 21152244
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 155667891) is 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZXJHLLKDTZIYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)15-8-13(17)9-18-14-6-4-12(5-7-14)11(3)16/h4-7,10-11,13,15-17H,8-9H2,1-3H3.
What are the key properties of 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 155667891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).