2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide

C15H23ClN2O3 — CID 43122406

IUPAC2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-18(6-2)15(19)10(3)21-14-12(16)7-11(9-17)8-13(14)20-4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyDTPJVXKKUNFWJG-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide

2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide (PubChem CID 43122406) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
PubChem CID43122406
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-18(6-2)15(19)10(3)21-14-12(16)7-11(9-17)8-13(14)20-4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyDTPJVXKKUNFWJG-UHFFFAOYSA-N
XLogP2.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
2-[2-chloro-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63062500
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide (CID 43122406) is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1c(Cl)cc(CN)cc1OC.
What is the InChIKey of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide?
The InChIKey is DTPJVXKKUNFWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-5-18(6-2)15(19)10(3)21-14-12(16)7-11(9-17)8-13(14)20-4/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide?
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 43122406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).