N-ethoxy-1-phenylpropan-2-amine

C11H17NO — CID 24841305

IUPACN-ethoxy-1-phenylpropan-2-amine
SMILESCCONC(C)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-3-13-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyCZQALVUSHZSMPL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds5

About N-ethoxy-1-phenylpropan-2-amine

N-ethoxy-1-phenylpropan-2-amine (PubChem CID 24841305) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-ethoxy-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-ethoxy-1-phenylpropan-2-amine
PubChem CID24841305
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-ethoxy-1-phenylpropan-2-amine
SMILESCCONC(C)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-3-13-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyCZQALVUSHZSMPL-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
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 N-ethoxy-1-phenylpropan-2-amine?
The IUPAC name of N-ethoxy-1-phenylpropan-2-amine (CID 24841305) is N-ethoxy-1-phenylpropan-2-amine.
What is the SMILES notation for N-ethoxy-1-phenylpropan-2-amine?
The canonical SMILES for N-ethoxy-1-phenylpropan-2-amine is CCONC(C)Cc1ccccc1.
What is the InChIKey of N-ethoxy-1-phenylpropan-2-amine?
The InChIKey is CZQALVUSHZSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-13-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of N-ethoxy-1-phenylpropan-2-amine?
N-ethoxy-1-phenylpropan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-phenylpropan-2-amine is sourced from PubChem (CID 24841305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).