2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride

C13H19Cl3N2O2 — CID 6473566

IUPAC2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-13(2,3)17-6-8-4-9(14)5-10(15)12(8)19-7-11(16)18;/h4-5,17H,6-7H2,1-3H3,(H2,16,18);1H
InChIKeyNMTBXDYYSHQRPN-UHFFFAOYSA-N
MW341.67 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride

2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride (PubChem CID 6473566) has the molecular formula C13H19Cl3N2O2 and a molecular weight of 341.67 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
PubChem CID6473566
Molecular FormulaC13H19Cl3N2O2
Molecular Weight341.67 g/mol
Exact Mass340.05
IUPAC Name2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-13(2,3)17-6-8-4-9(14)5-10(15)12(8)19-7-11(16)18;/h4-5,17H,6-7H2,1-3H3,(H2,16,18);1H
InChIKeyNMTBXDYYSHQRPN-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 63057969
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6473574
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
3-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylamino]-2-methylbenzoic acid
CID 17058253
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6473357
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride (CID 6473566) is 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride is CC(C)(C)NCc1cc(Cl)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride?
The InChIKey is NMTBXDYYSHQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2.ClH/c1-13(2,3)17-6-8-4-9(14)5-10(15)12(8)19-7-11(16)18;/h4-5,17H,6-7H2,1-3H3,(H2,16,18);1H.
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride?
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride has a molecular weight of 341.67 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride is sourced from PubChem (CID 6473566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).