1-amino-3-(3-phenoxyphenoxy)propan-2-ol

C15H17NO3 — CID 18593122

IUPAC1-amino-3-(3-phenoxyphenoxy)propan-2-ol
SMILESNCC(O)COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO3/c16-10-12(17)11-18-14-7-4-8-15(9-14)19-13-5-2-1-3-6-13/h1-9,12,17H,10-11,16H2
InChIKeyYZSSPHVEDQQACW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds6

About 1-amino-3-(3-phenoxyphenoxy)propan-2-ol

1-amino-3-(3-phenoxyphenoxy)propan-2-ol (PubChem CID 18593122) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-amino-3-(3-phenoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-phenoxyphenoxy)propan-2-ol
PubChem CID18593122
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-amino-3-(3-phenoxyphenoxy)propan-2-ol
SMILESNCC(O)COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO3/c16-10-12(17)11-18-14-7-4-8-15(9-14)19-13-5-2-1-3-6-13/h1-9,12,17H,10-11,16H2
InChIKeyYZSSPHVEDQQACW-UHFFFAOYSA-N
XLogP2.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
CID 142633969
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
(2S)-1-amino-3-(3-isocyanophenoxy)propan-2-ol
CID 59827328
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-(3-phenoxyphenoxy)aniline
CID 68727404
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
2-(2-hydroxy-3-phenoxypropyl)-1-(3-phenoxyphenyl)guanidine;hydrobromide
CID 167756826
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-phenoxyphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-phenoxyphenoxy)propan-2-ol (CID 18593122) is 1-amino-3-(3-phenoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-phenoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-phenoxyphenoxy)propan-2-ol is NCC(O)COc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-amino-3-(3-phenoxyphenoxy)propan-2-ol?
The InChIKey is YZSSPHVEDQQACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c16-10-12(17)11-18-14-7-4-8-15(9-14)19-13-5-2-1-3-6-13/h1-9,12,17H,10-11,16H2.
What are the key properties of 1-amino-3-(3-phenoxyphenoxy)propan-2-ol?
1-amino-3-(3-phenoxyphenoxy)propan-2-ol has a molecular weight of 259.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-phenoxyphenoxy)propan-2-ol is sourced from PubChem (CID 18593122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).