2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide

C14H21ClN2O — CID 104854061

IUPAC2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-6-7-13(15)8-11(12)3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyFTZRZNRUHQMWHU-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.61
Rot. Bonds6

About 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide

2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide (PubChem CID 104854061) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
PubChem CID104854061
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-6-7-13(15)8-11(12)3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyFTZRZNRUHQMWHU-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687095
N-[(4-chloro-2-methylphenyl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 104854071
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide (CID 104854061) is 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1ccc(Cl)cc1C.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is FTZRZNRUHQMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-6-7-13(15)8-11(12)3/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide?
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide has a molecular weight of 268.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 104854061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).