1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol

C14H23NO2 — CID 64814834

IUPAC1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
SMILESCC(O)(CN)COc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-13(2,3)11-7-5-6-8-12(11)17-10-14(4,16)9-15/h5-8,16H,9-10,15H2,1-4H3
InChIKeyLQNMWENEABGYNE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.07
Rot. Bonds4

About 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol

1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol (PubChem CID 64814834) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
PubChem CID64814834
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
SMILESCC(O)(CN)COc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-13(2,3)11-7-5-6-8-12(11)17-10-14(4,16)9-15/h5-8,16H,9-10,15H2,1-4H3
InChIKeyLQNMWENEABGYNE-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
2-(2-tert-butylphenoxy)acetamide
CID 17051379
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
acetyl 2-(2-tert-butylphenoxy)acetate
CID 87336572
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol (CID 64814834) is 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol is CC(O)(CN)COc1ccccc1C(C)(C)C.
What is the InChIKey of 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol?
The InChIKey is LQNMWENEABGYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)11-7-5-6-8-12(11)17-10-14(4,16)9-15/h5-8,16H,9-10,15H2,1-4H3.
What are the key properties of 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol?
1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 64814834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).