2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide

C14H21ClN2O — CID 106863106

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)7-13(12)15/h5-7,9,11,16H,8H2,1-4H3,(H,17,18)
InChIKeyDWDAITSLNXHZHE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.65
Rot. Bonds5

About 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide

2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 106863106) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID106863106
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)7-13(12)15/h5-7,9,11,16H,8H2,1-4H3,(H,17,18)
InChIKeyDWDAITSLNXHZHE-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 106862474
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-propan-2-ylpropanamide
CID 102667428
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
2-[(4-bromo-2-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 114381496

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide (CID 106863106) is 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide is Cc1ccc(CNC(C)C(=O)NC(C)C)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is DWDAITSLNXHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)7-13(12)15/h5-7,9,11,16H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106863106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).