1-phenyl-1-propan-2-yloxyethane-1,2-diamine

C11H18N2O — CID 91418731

IUPAC1-phenyl-1-propan-2-yloxyethane-1,2-diamine
SMILESCC(C)OC(N)(CN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-9(2)14-11(13,8-12)10-6-4-3-5-7-10/h3-7,9H,8,12-13H2,1-2H3
InChIKeyFUUWREZFCHYLEI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.18
Rot. Bonds4

About 1-phenyl-1-propan-2-yloxyethane-1,2-diamine

1-phenyl-1-propan-2-yloxyethane-1,2-diamine (PubChem CID 91418731) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-phenyl-1-propan-2-yloxyethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-1-propan-2-yloxyethane-1,2-diamine
PubChem CID91418731
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-phenyl-1-propan-2-yloxyethane-1,2-diamine
SMILESCC(C)OC(N)(CN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-9(2)14-11(13,8-12)10-6-4-3-5-7-10/h3-7,9H,8,12-13H2,1-2H3
InChIKeyFUUWREZFCHYLEI-UHFFFAOYSA-N
XLogP1.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenyl-1-propan-2-yloxyethane-1,2-diamine?
The IUPAC name of 1-phenyl-1-propan-2-yloxyethane-1,2-diamine (CID 91418731) is 1-phenyl-1-propan-2-yloxyethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-1-propan-2-yloxyethane-1,2-diamine?
The canonical SMILES for 1-phenyl-1-propan-2-yloxyethane-1,2-diamine is CC(C)OC(N)(CN)c1ccccc1.
What is the InChIKey of 1-phenyl-1-propan-2-yloxyethane-1,2-diamine?
The InChIKey is FUUWREZFCHYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)14-11(13,8-12)10-6-4-3-5-7-10/h3-7,9H,8,12-13H2,1-2H3.
What are the key properties of 1-phenyl-1-propan-2-yloxyethane-1,2-diamine?
1-phenyl-1-propan-2-yloxyethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-propan-2-yloxyethane-1,2-diamine is sourced from PubChem (CID 91418731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).