1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

C19H25NO3 — CID 13208810

IUPAC1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-11-7-6-10-18(19)22-13-16-8-4-3-5-9-16/h3-11,15,17,20-21H,12-14H2,1-2H3
InChIKeyZHAJDRQTIROYLI-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.00
Rot. Bonds9

About 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13208810) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID13208810
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-11-7-6-10-18(19)22-13-16-8-4-3-5-9-16/h3-11,15,17,20-21H,12-14H2,1-2H3
InChIKeyZHAJDRQTIROYLI-UHFFFAOYSA-N
XLogP3.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(2-methoxy-4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;N-methylformamide
CID 21397706
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 10358694
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
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
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
1-[4-[[2-hydroxy-3-(propan-2-ylamino)propoxy]-phenylmethoxymethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175022615

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 13208810) is 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZHAJDRQTIROYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-11-7-6-10-18(19)22-13-16-8-4-3-5-9-16/h3-11,15,17,20-21H,12-14H2,1-2H3.
What are the key properties of 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13208810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).