1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol

C15H25NO2 — CID 64813765

IUPAC1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(C(C)(C)C)c(OCC(C)(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-11-6-7-12(14(2,3)4)13(8-11)18-10-15(5,17)9-16/h6-8,17H,9-10,16H2,1-5H3
InChIKeyVRTBPDRKPNMVCA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds4

About 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol

1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol (PubChem CID 64813765) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
PubChem CID64813765
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(C(C)(C)C)c(OCC(C)(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-11-6-7-12(14(2,3)4)13(8-11)18-10-15(5,17)9-16/h6-8,17H,9-10,16H2,1-5H3
InChIKeyVRTBPDRKPNMVCA-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
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-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
1-(2-tert-butyl-5-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66334434
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
4-(2-tert-butyl-5-methylphenoxy)butanethioamide
CID 29013024
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol (CID 64813765) is 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol is Cc1ccc(C(C)(C)C)c(OCC(C)(O)CN)c1.
What is the InChIKey of 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol?
The InChIKey is VRTBPDRKPNMVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-6-7-12(14(2,3)4)13(8-11)18-10-15(5,17)9-16/h6-8,17H,9-10,16H2,1-5H3.
What are the key properties of 1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol?
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.38, 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-butyl-5-methylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 64813765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).