1-phenyl-N-propan-2-yloxypropan-2-amine

C12H19NO — CID 3063246

IUPAC1-phenyl-N-propan-2-yloxypropan-2-amine
SMILESCC(Cc1ccccc1)NOC(C)C
InChIInChI=1S/C12H19NO/c1-10(2)14-13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyXXVQUTLCWRJABB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.55
Rot. Bonds5

About 1-phenyl-N-propan-2-yloxypropan-2-amine

1-phenyl-N-propan-2-yloxypropan-2-amine (PubChem CID 3063246) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-yloxypropan-2-amine
PubChem CID3063246
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-phenyl-N-propan-2-yloxypropan-2-amine
SMILESCC(Cc1ccccc1)NOC(C)C
InChIInChI=1S/C12H19NO/c1-10(2)14-13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyXXVQUTLCWRJABB-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-phenyl-N-propan-2-yloxypropan-2-amine (CID 3063246) is 1-phenyl-N-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-phenyl-N-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-phenyl-N-propan-2-yloxypropan-2-amine is CC(Cc1ccccc1)NOC(C)C.
What is the InChIKey of 1-phenyl-N-propan-2-yloxypropan-2-amine?
The InChIKey is XXVQUTLCWRJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)14-13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3.
What are the key properties of 1-phenyl-N-propan-2-yloxypropan-2-amine?
1-phenyl-N-propan-2-yloxypropan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 3063246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).