1-chloro-1-ethoxy-N,N-diethylethanamine

C8H18ClNO — CID 174431336

IUPAC1-chloro-1-ethoxy-N,N-diethylethanamine
SMILESCCOC(C)(Cl)N(CC)CC
InChIInChI=1S/C8H18ClNO/c1-5-10(6-2)8(4,9)11-7-3/h5-7H2,1-4H3
InChIKeyNLEDHIHAKFJCNG-UHFFFAOYSA-N
MW179.69 g/mol
LogP2.28
Rot. Bonds5

About 1-chloro-1-ethoxy-N,N-diethylethanamine

1-chloro-1-ethoxy-N,N-diethylethanamine (PubChem CID 174431336) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-chloro-1-ethoxy-N,N-diethylethanamine.

Molecular Properties

Compound Name1-chloro-1-ethoxy-N,N-diethylethanamine
PubChem CID174431336
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-chloro-1-ethoxy-N,N-diethylethanamine
SMILESCCOC(C)(Cl)N(CC)CC
InChIInChI=1S/C8H18ClNO/c1-5-10(6-2)8(4,9)11-7-3/h5-7H2,1-4H3
InChIKeyNLEDHIHAKFJCNG-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
CID 10013395
1-chloro-1-ethoxy-1-methoxyethane
CID 87908688
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine
CID 173064950
2-chloro-N,N-diethyl-1-silylpropan-2-amine
CID 173059259
1,1,1,2,2-pentachloro-2-ethoxyethane
CID 90965191
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383
1,2-dichloro-1-ethoxyethanol
CID 141026813

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethoxy-N,N-diethylethanamine?
The IUPAC name of 1-chloro-1-ethoxy-N,N-diethylethanamine (CID 174431336) is 1-chloro-1-ethoxy-N,N-diethylethanamine.
What is the SMILES notation for 1-chloro-1-ethoxy-N,N-diethylethanamine?
The canonical SMILES for 1-chloro-1-ethoxy-N,N-diethylethanamine is CCOC(C)(Cl)N(CC)CC.
What is the InChIKey of 1-chloro-1-ethoxy-N,N-diethylethanamine?
The InChIKey is NLEDHIHAKFJCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-5-10(6-2)8(4,9)11-7-3/h5-7H2,1-4H3.
What are the key properties of 1-chloro-1-ethoxy-N,N-diethylethanamine?
1-chloro-1-ethoxy-N,N-diethylethanamine has a molecular weight of 179.69 g/mol, XLogP of 2.28, 5 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-diethylethanamine is sourced from PubChem (CID 174431336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).