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

C14H21ClN2O — CID 106863102

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc(C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-7-6-11(3)8-13(12)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyKXAUTXFYYFFANF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.61
Rot. Bonds6

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

2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide (PubChem CID 106863102) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
PubChem CID106863102
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc(C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-7-6-11(3)8-13(12)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyKXAUTXFYYFFANF-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-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687095
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide (CID 106863102) is 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1ccc(C)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is KXAUTXFYYFFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-17(5-2)14(18)10-16-9-12-7-6-11(3)8-13(12)15/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide?
2-[(2-chloro-4-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-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 106863102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).