3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide

C12H16Cl2N2O2 — CID 54930692

IUPAC3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(Cl)cc(Cl)cc1CCN)C(N)=O
InChIInChI=1S/C12H16Cl2N2O2/c1-7(12(16)17)6-18-11-8(2-3-15)4-9(13)5-10(11)14/h4-5,7H,2-3,6,15H2,1H3,(H2,16,17)
InChIKeyVIKGEWIOTFZUEB-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide

3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide (PubChem CID 54930692) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
PubChem CID54930692
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(Cl)cc(Cl)cc1CCN)C(N)=O
InChIInChI=1S/C12H16Cl2N2O2/c1-7(12(16)17)6-18-11-8(2-3-15)4-9(13)5-10(11)14/h4-5,7H,2-3,6,15H2,1H3,(H2,16,17)
InChIKeyVIKGEWIOTFZUEB-UHFFFAOYSA-N
XLogP1.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
CID 63056123
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
2-methyl-3-(2,4,6-trichlorophenoxy)propanethioamide
CID 43175363
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide (CID 54930692) is 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide is CC(COc1c(Cl)cc(Cl)cc1CCN)C(N)=O.
What is the InChIKey of 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide?
The InChIKey is VIKGEWIOTFZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-7(12(16)17)6-18-11-8(2-3-15)4-9(13)5-10(11)14/h4-5,7H,2-3,6,15H2,1H3,(H2,16,17).
What are the key properties of 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide?
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide has a molecular weight of 291.18 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 54930692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).