2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol

C18H29NO2 — CID 64808543

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)(NC(C)C)C2CC2)c1C
InChIInChI=1S/C18H29NO2/c1-12(2)19-18(10-20,16-8-9-16)11-21-17-14(4)7-6-13(3)15(17)5/h6-7,12,16,19-20H,8-11H2,1-5H3
InChIKeyIRPROFTVEMSRDJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.13
Rot. Bonds7

About 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol

2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol (PubChem CID 64808543) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
PubChem CID64808543
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)(NC(C)C)C2CC2)c1C
InChIInChI=1S/C18H29NO2/c1-12(2)19-18(10-20,16-8-9-16)11-21-17-14(4)7-6-13(3)15(17)5/h6-7,12,16,19-20H,8-11H2,1-5H3
InChIKeyIRPROFTVEMSRDJ-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol (CID 64808543) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol is Cc1ccc(C)c(OCC(CO)(NC(C)C)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol?
The InChIKey is IRPROFTVEMSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)19-18(10-20,16-8-9-16)11-21-17-14(4)7-6-13(3)15(17)5/h6-7,12,16,19-20H,8-11H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol?
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol is sourced from PubChem (CID 64808543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).