1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol

C14H24N2O2 — CID 57004027

IUPAC1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(N)NC(Oc1ccccc1C(C)C)C(C)O
InChIInChI=1S/C14H24N2O2/c1-9(2)12-7-5-6-8-13(12)18-14(10(3)17)16-11(4)15/h5-11,14,16-17H,15H2,1-4H3
InChIKeyAMRLFUHYZKZLPU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds6

About 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol

1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 57004027) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID57004027
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(N)NC(Oc1ccccc1C(C)C)C(C)O
InChIInChI=1S/C14H24N2O2/c1-9(2)12-7-5-6-8-13(12)18-14(10(3)17)16-11(4)15/h5-11,14,16-17H,15H2,1-4H3
InChIKeyAMRLFUHYZKZLPU-UHFFFAOYSA-N
XLogP1.79
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol (CID 57004027) is 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol is CC(N)NC(Oc1ccccc1C(C)C)C(C)O.
What is the InChIKey of 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is AMRLFUHYZKZLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)12-7-5-6-8-13(12)18-14(10(3)17)16-11(4)15/h5-11,14,16-17H,15H2,1-4H3.
What are the key properties of 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol?
1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)-1-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 57004027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).