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

C14H21ClN2O2 — CID 112553294

IUPAC2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O2/c1-4-17(5-2)13(18)10-16(3)9-11-7-6-8-12(15)14(11)19/h6-8,19H,4-5,9-10H2,1-3H3
InChIKeyACULZUROSIOEFR-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.35
Rot. Bonds6

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

2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 112553294) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID112553294
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O2/c1-4-17(5-2)13(18)10-16(3)9-11-7-6-8-12(15)14(11)19/h6-8,19H,4-5,9-10H2,1-3H3
InChIKeyACULZUROSIOEFR-UHFFFAOYSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.35
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

2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 102665377
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide (CID 112553294) is 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1cccc(Cl)c1O.
What is the InChIKey of 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is ACULZUROSIOEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-17(5-2)13(18)10-16(3)9-11-7-6-8-12(15)14(11)19/h6-8,19H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide?
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 112553294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).