1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol

C15H25NO2 — CID 67316817

IUPAC1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
SMILESCCC(CC)COc1cccc(CC(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-3-12(4-2)11-18-15-7-5-6-13(9-15)8-14(17)10-16/h5-7,9,12,14,17H,3-4,8,10-11,16H2,1-2H3
InChIKeyQHRFBQQOXXXMBG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds8

About 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol

1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol (PubChem CID 67316817) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
PubChem CID67316817
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
SMILESCCC(CC)COc1cccc(CC(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-3-12(4-2)11-18-15-7-5-6-13(9-15)8-14(17)10-16/h5-7,9,12,14,17H,3-4,8,10-11,16H2,1-2H3
InChIKeyQHRFBQQOXXXMBG-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
3-[[3-[(2S)-3-amino-2-hydroxypropyl]phenoxy]methyl]hexan-3-ol
CID 168838032
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol?
The IUPAC name of 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol (CID 67316817) is 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol is CCC(CC)COc1cccc(CC(O)CN)c1.
What is the InChIKey of 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol?
The InChIKey is QHRFBQQOXXXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-12(4-2)11-18-15-7-5-6-13(9-15)8-14(17)10-16/h5-7,9,12,14,17H,3-4,8,10-11,16H2,1-2H3.
What are the key properties of 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol?
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol is sourced from PubChem (CID 67316817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).