3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide

C15H22Cl2N2O2 — CID 63056123

IUPAC3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(C)CNCc1cc(Cl)cc(Cl)c1OCC(C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-9(2)6-19-7-11-4-12(16)5-13(17)14(11)21-8-10(3)15(18)20/h4-5,9-10,19H,6-8H2,1-3H3,(H2,18,20)
InChIKeyWZAYSSXHMYLROX-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.24
Rot. Bonds8

About 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide

3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide (PubChem CID 63056123) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
PubChem CID63056123
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(C)CNCc1cc(Cl)cc(Cl)c1OCC(C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-9(2)6-19-7-11-4-12(16)5-13(17)14(11)21-8-10(3)15(18)20/h4-5,9-10,19H,6-8H2,1-3H3,(H2,18,20)
InChIKeyWZAYSSXHMYLROX-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.24
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-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369623
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 76997511
5-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63058137
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 104665105
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
2-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 55147794
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486026
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide (CID 63056123) is 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide is CC(C)CNCc1cc(Cl)cc(Cl)c1OCC(C)C(N)=O.
What is the InChIKey of 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide?
The InChIKey is WZAYSSXHMYLROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-9(2)6-19-7-11-4-12(16)5-13(17)14(11)21-8-10(3)15(18)20/h4-5,9-10,19H,6-8H2,1-3H3,(H2,18,20).
What are the key properties of 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide?
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide has a molecular weight of 333.26 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 63056123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).