1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C26H31NO3 — CID 175098117

IUPAC1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCOc1c(OCC(O)CNC(C)C)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H31NO3/c1-4-29-26-24(30-18-22(28)17-27-19(2)3)16-15-23(20-11-7-5-8-12-20)25(26)21-13-9-6-10-14-21/h5-16,19,22,27-28H,4,17-18H2,1-3H3
InChIKeyRFEZUZQKEQZGSR-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.16
Rot. Bonds10

About 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 175098117) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID175098117
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCOc1c(OCC(O)CNC(C)C)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H31NO3/c1-4-29-26-24(30-18-22(28)17-27-19(2)3)16-15-23(20-11-7-5-8-12-20)25(26)21-13-9-6-10-14-21/h5-16,19,22,27-28H,4,17-18H2,1-3H3
InChIKeyRFEZUZQKEQZGSR-UHFFFAOYSA-N
XLogP5.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
1-[2-(N-hydroxy-C-methylcarbonimidoyl)-4-phenylphenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 154105644
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 175098117) is 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCOc1c(OCC(O)CNC(C)C)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RFEZUZQKEQZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-4-29-26-24(30-18-22(28)17-27-19(2)3)16-15-23(20-11-7-5-8-12-20)25(26)21-13-9-6-10-14-21/h5-16,19,22,27-28H,4,17-18H2,1-3H3.
What are the key properties of 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 405.54 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 175098117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).