3-ethoxy-3-phenylpentan-2-amine

C13H21NO — CID 21187080

IUPAC3-ethoxy-3-phenylpentan-2-amine
SMILESCCOC(CC)(c1ccccc1)C(C)N
InChIInChI=1S/C13H21NO/c1-4-13(11(3)14,15-5-2)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3
InChIKeyYMDYWHGMADDJFO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds5

About 3-ethoxy-3-phenylpentan-2-amine

3-ethoxy-3-phenylpentan-2-amine (PubChem CID 21187080) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethoxy-3-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-phenylpentan-2-amine
PubChem CID21187080
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethoxy-3-phenylpentan-2-amine
SMILESCCOC(CC)(c1ccccc1)C(C)N
InChIInChI=1S/C13H21NO/c1-4-13(11(3)14,15-5-2)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3
InChIKeyYMDYWHGMADDJFO-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-phenylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-phenylpentan-2-amine (CID 21187080) is 3-ethoxy-3-phenylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-phenylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-phenylpentan-2-amine is CCOC(CC)(c1ccccc1)C(C)N.
What is the InChIKey of 3-ethoxy-3-phenylpentan-2-amine?
The InChIKey is YMDYWHGMADDJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(11(3)14,15-5-2)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3.
What are the key properties of 3-ethoxy-3-phenylpentan-2-amine?
3-ethoxy-3-phenylpentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-phenylpentan-2-amine is sourced from PubChem (CID 21187080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).