3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

C14H21ClN2O2 — CID 105400824

IUPAC3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)10(2)12-7-11(15)5-6-13(12)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyHMDYQNFZSXODPO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.42
Rot. Bonds5

About 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 105400824) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
PubChem CID105400824
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)10(2)12-7-11(15)5-6-13(12)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyHMDYQNFZSXODPO-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354
3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106918846
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914743
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
(E)-3-[4-chloro-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]phenyl]prop-2-enoic acid
CID 106916919
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (CID 105400824) is 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(C)c1cc(Cl)ccc1O.
What is the InChIKey of 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is HMDYQNFZSXODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)10(2)12-7-11(15)5-6-13(12)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19).
What are the key properties of 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 105400824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).