(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol

C14H23NO2 — CID 9159137

IUPAC(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1ccc(OC[C@H](O)CN)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)11-5-7-13(8-6-11)17-10-12(16)9-15/h5-8,12,16H,4,9-10,15H2,1-3H3/t12-/m1/s1
InChIKeyFLSQONWNZKLDFO-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.07
Rot. Bonds6

About (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol

(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol (PubChem CID 9159137) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
PubChem CID9159137
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1ccc(OC[C@H](O)CN)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)11-5-7-13(8-6-11)17-10-12(16)9-15/h5-8,12,16H,4,9-10,15H2,1-3H3/t12-/m1/s1
InChIKeyFLSQONWNZKLDFO-GFCCVEGCSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
4-amino-1-(4-tert-butylphenoxy)butan-2-ol
CID 112500941
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-trimethylazanium
CID 27532172
4-[2-[4-[4-hydroxy-5-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2-methylpentan-2-yl]phenyl]propan-2-yl]phenol;propane
CID 144589117
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol (CID 9159137) is (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol is CCC(C)(C)c1ccc(OC[C@H](O)CN)cc1.
What is the InChIKey of (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The InChIKey is FLSQONWNZKLDFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(2,3)11-5-7-13(8-6-11)17-10-12(16)9-15/h5-8,12,16H,4,9-10,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 9159137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).