2-[chloro(phenyl)methoxy]-N,N-diethylethanamine

C13H20ClNO — CID 70132792

IUPAC2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(Cl)c1ccccc1
InChIInChI=1S/C13H20ClNO/c1-3-15(4-2)10-11-16-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyLJXMIOBUWAQUOA-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.28
Rot. Bonds7

About 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine

2-[chloro(phenyl)methoxy]-N,N-diethylethanamine (PubChem CID 70132792) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
PubChem CID70132792
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(Cl)c1ccccc1
InChIInChI=1S/C13H20ClNO/c1-3-15(4-2)10-11-16-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyLJXMIOBUWAQUOA-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[chloro(pentoxy)methyl]benzene
CID 141305175
2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
CID 24847310
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine
CID 67633336
N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine
CID 90745860
2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine
CID 13315664
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493319
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine (CID 70132792) is 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine is CCN(CC)CCOC(Cl)c1ccccc1.
What is the InChIKey of 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine?
The InChIKey is LJXMIOBUWAQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-15(4-2)10-11-16-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine?
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 70132792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).