2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide

C13H18Cl2N2O2 — CID 54928907

IUPAC2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C13H18Cl2N2O2/c1-7(16)4-9-5-10(14)6-11(15)12(9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyUABMSAXBAMHCSQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide

2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide (PubChem CID 54928907) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
PubChem CID54928907
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C13H18Cl2N2O2/c1-7(16)4-9-5-10(14)6-11(15)12(9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyUABMSAXBAMHCSQ-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide (CID 54928907) is 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide?
The InChIKey is UABMSAXBAMHCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-7(16)4-9-5-10(14)6-11(15)12(9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide?
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide has a molecular weight of 305.21 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 54928907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).