1-chloro-1-ethoxy-N,N-diethylpropan-2-amine

C9H20ClNO — CID 57051873

IUPAC1-chloro-1-ethoxy-N,N-diethylpropan-2-amine
SMILESCCOC(Cl)C(C)N(CC)CC
InChIInChI=1S/C9H20ClNO/c1-5-11(6-2)8(4)9(10)12-7-3/h8-9H,5-7H2,1-4H3
InChIKeyCUIRAMUNTGSGJN-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.32
Rot. Bonds6

About 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine

1-chloro-1-ethoxy-N,N-diethylpropan-2-amine (PubChem CID 57051873) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-1-ethoxy-N,N-diethylpropan-2-amine
PubChem CID57051873
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-chloro-1-ethoxy-N,N-diethylpropan-2-amine
SMILESCCOC(Cl)C(C)N(CC)CC
InChIInChI=1S/C9H20ClNO/c1-5-11(6-2)8(4)9(10)12-7-3/h8-9H,5-7H2,1-4H3
InChIKeyCUIRAMUNTGSGJN-UHFFFAOYSA-N
XLogP2.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine?
The IUPAC name of 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine (CID 57051873) is 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine.
What is the SMILES notation for 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine?
The canonical SMILES for 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine is CCOC(Cl)C(C)N(CC)CC.
What is the InChIKey of 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine?
The InChIKey is CUIRAMUNTGSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-5-11(6-2)8(4)9(10)12-7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine?
1-chloro-1-ethoxy-N,N-diethylpropan-2-amine has a molecular weight of 193.72 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethoxy-N,N-diethylpropan-2-amine is sourced from PubChem (CID 57051873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).