3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide

C13H19ClN2O2 — CID 103923775

IUPAC3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cccc(Cl)c1O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,12(18)15-3)8-16-7-9-5-4-6-10(14)11(9)17/h4-6,16-17H,7-8H2,1-3H3,(H,15,18)
InChIKeyCZEOCGJEUFSKGV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.91
Rot. Bonds5

About 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103923775) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103923775
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cccc(Cl)c1O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,12(18)15-3)8-16-7-9-5-4-6-10(14)11(9)17/h4-6,16-17H,7-8H2,1-3H3,(H,15,18)
InChIKeyCZEOCGJEUFSKGV-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dihydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113357962
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
CID 103824411
3-[(3-cyano-2-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106277183
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 106275702

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide (CID 103923775) is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1cccc(Cl)c1O.
What is the InChIKey of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is CZEOCGJEUFSKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,12(18)15-3)8-16-7-9-5-4-6-10(14)11(9)17/h4-6,16-17H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103923775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).