2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide

C15H24ClN3O — CID 114848185

IUPAC2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCCNCc1cc(Cl)ccc1N(C)CC(=O)N(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-8-17-10-12-9-13(16)6-7-14(12)19(4)11-15(20)18(2)3/h6-7,9,17H,5,8,10-11H2,1-4H3
InChIKeyDOECCBDYVMCUGW-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.36
Rot. Bonds7

About 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide

2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide (PubChem CID 114848185) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
PubChem CID114848185
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCCNCc1cc(Cl)ccc1N(C)CC(=O)N(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-8-17-10-12-9-13(16)6-7-14(12)19(4)11-15(20)18(2)3/h6-7,9,17H,5,8,10-11H2,1-4H3
InChIKeyDOECCBDYVMCUGW-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
CID 114851509
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
4-chloro-N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)aniline
CID 114851544

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide (CID 114848185) is 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide is CCCNCc1cc(Cl)ccc1N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is DOECCBDYVMCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-8-17-10-12-9-13(16)6-7-14(12)19(4)11-15(20)18(2)3/h6-7,9,17H,5,8,10-11H2,1-4H3.
What are the key properties of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 297.83 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 114848185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).