2-chloro-1-ethoxy-2-ethylbutan-1-amine

C8H18ClNO — CID 22618234

IUPAC2-chloro-1-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(N)C(Cl)(CC)CC
InChIInChI=1S/C8H18ClNO/c1-4-8(9,5-2)7(10)11-6-3/h7H,4-6,10H2,1-3H3
InChIKeyNWHJMEPVNHDOAR-UHFFFAOYSA-N
MW179.69 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-1-ethoxy-2-ethylbutan-1-amine

2-chloro-1-ethoxy-2-ethylbutan-1-amine (PubChem CID 22618234) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-chloro-1-ethoxy-2-ethylbutan-1-amine
PubChem CID22618234
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-chloro-1-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(N)C(Cl)(CC)CC
InChIInChI=1S/C8H18ClNO/c1-4-8(9,5-2)7(10)11-6-3/h7H,4-6,10H2,1-3H3
InChIKeyNWHJMEPVNHDOAR-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-2-ethylbutan-1-amine?
The IUPAC name of 2-chloro-1-ethoxy-2-ethylbutan-1-amine (CID 22618234) is 2-chloro-1-ethoxy-2-ethylbutan-1-amine.
What is the SMILES notation for 2-chloro-1-ethoxy-2-ethylbutan-1-amine?
The canonical SMILES for 2-chloro-1-ethoxy-2-ethylbutan-1-amine is CCOC(N)C(Cl)(CC)CC.
What is the InChIKey of 2-chloro-1-ethoxy-2-ethylbutan-1-amine?
The InChIKey is NWHJMEPVNHDOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-4-8(9,5-2)7(10)11-6-3/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-chloro-1-ethoxy-2-ethylbutan-1-amine?
2-chloro-1-ethoxy-2-ethylbutan-1-amine has a molecular weight of 179.69 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-2-ethylbutan-1-amine is sourced from PubChem (CID 22618234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).