2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide

C11H15ClN2O2 — CID 78959323

IUPAC2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1c(O)cccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(11(16)13-2)14-6-8-9(12)4-3-5-10(8)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyMJQYGDDJNGYQEV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.27
Rot. Bonds4

About 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide

2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 78959323) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide
PubChem CID78959323
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1c(O)cccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(11(16)13-2)14-6-8-9(12)4-3-5-10(8)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyMJQYGDDJNGYQEV-UHFFFAOYSA-N
XLogP1.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.27
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

2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
CID 115695872
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678
3-chloro-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 75361231
2-[(2-chloro-6-hydroxyphenyl)methylamino]propanenitrile
CID 130678450
3-chloro-2-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]phenol
CID 96951594
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
3-chloro-2-[(1-cyclohexylethylamino)methyl]phenol
CID 79032182
3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
3-chloro-2-[(5-methylhexylamino)methyl]phenol
CID 79002895
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
3-chloro-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 78959997
3-chloro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 113276532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide (CID 78959323) is 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1c(O)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is MJQYGDDJNGYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(11(16)13-2)14-6-8-9(12)4-3-5-10(8)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide?
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 78959323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).