2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

C13H21ClN2O — CID 114318958

IUPAC2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1c(Cl)cccc1OCCN(C)C
InChIInChI=1S/C13H21ClN2O/c1-4-15-10-11-12(14)6-5-7-13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3
InChIKeyCVFRFXQPKKQJRI-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.39
Rot. Bonds7

About 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 114318958) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID114318958
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1c(Cl)cccc1OCCN(C)C
InChIInChI=1S/C13H21ClN2O/c1-4-15-10-11-12(14)6-5-7-13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3
InChIKeyCVFRFXQPKKQJRI-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine 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

3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 114318919
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 114318958) is 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is CCNCc1c(Cl)cccc1OCCN(C)C.
What is the InChIKey of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is CVFRFXQPKKQJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-15-10-11-12(14)6-5-7-13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3.
What are the key properties of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 114318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).