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

C13H19ClN2O — CID 106862474

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCc1ccc(CNC(C)C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9-5-6-11(12(14)7-9)8-15-10(2)13(17)16(3)4/h5-7,10,15H,8H2,1-4H3
InChIKeyNHVXLPRNRWNVEH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.21
Rot. Bonds4

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

2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 106862474) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID106862474
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCc1ccc(CNC(C)C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9-5-6-11(12(14)7-9)8-15-10(2)13(17)16(3)4/h5-7,10,15H,8H2,1-4H3
InChIKeyNHVXLPRNRWNVEH-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792586
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-ethyl-N-methylpropanamide
CID 103110690
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide (CID 106862474) is 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide is Cc1ccc(CNC(C)C(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is NHVXLPRNRWNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-5-6-11(12(14)7-9)8-15-10(2)13(17)16(3)4/h5-7,10,15H,8H2,1-4H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.21, 4 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-dimethylpropanamide is sourced from PubChem (CID 106862474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).