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

C14H21ClN2O2 — CID 114318944

IUPAC3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1c(Cl)cccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H21ClN2O2/c1-4-16-10-11-12(15)6-5-7-13(11)19-9-8-14(18)17(2)3/h5-7,16H,4,8-10H2,1-3H3
InChIKeyWSOPBLRLHDOTPT-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.31
Rot. Bonds7

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

3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 114318944) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID114318944
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1c(Cl)cccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H21ClN2O2/c1-4-16-10-11-12(15)6-5-7-13(11)19-9-8-14(18)17(2)3/h5-7,16H,4,8-10H2,1-3H3
InChIKeyWSOPBLRLHDOTPT-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
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
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 114319012
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide (CID 114318944) is 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide is CCNCc1c(Cl)cccc1OCCC(=O)N(C)C.
What is the InChIKey of 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is WSOPBLRLHDOTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-16-10-11-12(15)6-5-7-13(11)19-9-8-14(18)17(2)3/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 114318944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).