1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol

C17H27NO2 — CID 64813786

IUPAC1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
SMILESCc1ccc(OCC(O)(CN)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12-5-8-15(14(9-12)16(2,3)4)20-11-17(19,10-18)13-6-7-13/h5,8-9,13,19H,6-7,10-11,18H2,1-4H3
InChIKeyGDJCTZIDNPSLIF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.77
Rot. Bonds5

About 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol

1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol (PubChem CID 64813786) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
PubChem CID64813786
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
SMILESCc1ccc(OCC(O)(CN)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12-5-8-15(14(9-12)16(2,3)4)20-11-17(19,10-18)13-6-7-13/h5,8-9,13,19H,6-7,10-11,18H2,1-4H3
InChIKeyGDJCTZIDNPSLIF-UHFFFAOYSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
CID 64814214
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol
CID 107745034
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
CID 79627985
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
1-(2-tert-butyl-4-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66336391
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 2304367
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol (CID 64813786) is 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol is Cc1ccc(OCC(O)(CN)C2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol?
The InChIKey is GDJCTZIDNPSLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-5-8-15(14(9-12)16(2,3)4)20-11-17(19,10-18)13-6-7-13/h5,8-9,13,19H,6-7,10-11,18H2,1-4H3.
What are the key properties of 1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol?
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.77, 5 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-4-methylphenoxy)-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 64813786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).