2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide

C14H21ClN2O2 — CID 112687072

IUPAC2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-17(5-2)14(18)10-16-9-11-8-12(15)6-7-13(11)19-3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyGDFUHMIAHLRFAR-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.31
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide

2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide (PubChem CID 112687072) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
PubChem CID112687072
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-17(5-2)14(18)10-16-9-11-8-12(15)6-7-13(11)19-3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyGDFUHMIAHLRFAR-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925413
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide (CID 112687072) is 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is GDFUHMIAHLRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-17(5-2)14(18)10-16-9-11-8-12(15)6-7-13(11)19-3/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide?
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 112687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).