2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

C12H17ClN2O2 — CID 82977349

IUPAC2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1c(O)cccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-14(2)12(17)8-15(3)7-9-10(13)5-4-6-11(9)16/h4-6,16H,7-8H2,1-3H3
InChIKeyHPVHGAFPVBBOAC-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds4

About 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 82977349) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID82977349
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1c(O)cccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-14(2)12(17)8-15(3)7-9-10(13)5-4-6-11(9)16/h4-6,16H,7-8H2,1-3H3
InChIKeyHPVHGAFPVBBOAC-UHFFFAOYSA-N
XLogP1.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
CID 63060390
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
CID 114322179
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
CID 82978191
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (CID 82977349) is 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1c(O)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is HPVHGAFPVBBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14(2)12(17)8-15(3)7-9-10(13)5-4-6-11(9)16/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 82977349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).