1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol

C13H21NO2 — CID 64812758

IUPAC1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(C)c(OCC(C)(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-9-5-10(2)11(3)12(6-9)16-8-13(4,15)7-14/h5-6,15H,7-8,14H2,1-4H3
InChIKeySINKITSDYPUDDV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds4

About 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol

1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol (PubChem CID 64812758) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
PubChem CID64812758
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(C)c(OCC(C)(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-9-5-10(2)11(3)12(6-9)16-8-13(4,15)7-14/h5-6,15H,7-8,14H2,1-4H3
InChIKeySINKITSDYPUDDV-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol
CID 82023075
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
1-(3-bromo-2,2-dimethylpropoxy)-2,3,5-trimethylbenzene
CID 64995454
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
CID 65003897
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
CID 2262255
1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65004130

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol (CID 64812758) is 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol is Cc1cc(C)c(C)c(OCC(C)(O)CN)c1.
What is the InChIKey of 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol?
The InChIKey is SINKITSDYPUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-5-10(2)11(3)12(6-9)16-8-13(4,15)7-14/h5-6,15H,7-8,14H2,1-4H3.
What are the key properties of 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol?
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 64812758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).