3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol

C15H23NO2 — CID 114357850

IUPAC3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC(C)c1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)11-5-7-13(8-6-11)18-14(9-17)15(16)12-3-4-12/h5-8,10,12,14-15,17H,3-4,9,16H2,1-2H3
InChIKeyQCDJTKGDULJOBJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol (PubChem CID 114357850) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
PubChem CID114357850
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC(C)c1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)11-5-7-13(8-6-11)18-14(9-17)15(16)12-3-4-12/h5-8,10,12,14-15,17H,3-4,9,16H2,1-2H3
InChIKeyQCDJTKGDULJOBJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
CID 114358073
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107168863
3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
CID 114358382
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 112508227
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol (CID 114357850) is 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol is CC(C)c1ccc(OC(CO)C(N)C2CC2)cc1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is QCDJTKGDULJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)11-5-7-13(8-6-11)18-14(9-17)15(16)12-3-4-12/h5-8,10,12,14-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 114357850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).