2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine

C13H21ClN2O — CID 3046188

IUPAC2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCONCc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyHROZTAKDOXJHJH-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.70
Rot. Bonds8

About 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine

2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine (PubChem CID 3046188) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
PubChem CID3046188
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCONCc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyHROZTAKDOXJHJH-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784418
2-(4-Chloro-benzylamino)-ethanol
CID 424452
1,1'-[(4-Chlorobenzyl)imino]di(2-propanol)
CID 2846149
N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4550247
Hydroxylamine, N-(p-chlorobenzyl)-O-(2-diethylaminoethyl)-, oxalate
CID 3046187
2-[(4-Chlorobenzyl)(propyl)amino]ethanol
CID 782923
[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
2-(benzylamino)oxy-N,N-diethylethanamine
CID 134994507
[(2-Chlorophenyl)methyl](methoxy)amine
CID 13192618
2-{[(4-Chlorophenyl)methyl]amino}ethan-1-ol hydrochloride
CID 24194197
1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine
CID 23252541
N-[(2-chlorophenyl)methyl]-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
CID 23642665

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine (CID 3046188) is 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine is CCN(CC)CCONCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine?
The InChIKey is HROZTAKDOXJHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine?
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine is sourced from PubChem (CID 3046188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).