3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide

C15H24ClN3O — CID 106916783

IUPAC3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
SMILESCCCNCc1ccc(N(C)CCC(=O)NC)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-4-8-18-11-12-5-6-14(13(16)10-12)19(3)9-7-15(20)17-2/h5-6,10,18H,4,7-9,11H2,1-3H3,(H,17,20)
InChIKeyIYJYGWHNKZLNGU-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.41
Rot. Bonds8

About 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide

3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide (PubChem CID 106916783) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
PubChem CID106916783
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
SMILESCCCNCc1ccc(N(C)CCC(=O)NC)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-4-8-18-11-12-5-6-14(13(16)10-12)19(3)9-7-15(20)17-2/h5-6,10,18H,4,7-9,11H2,1-3H3,(H,17,20)
InChIKeyIYJYGWHNKZLNGU-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
4-[2-chloro-4-(propylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890097
2-[2-chloro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 81149643
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
CID 81148770
2-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(propylaminomethyl)aniline
CID 81144926
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide?
The IUPAC name of 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide (CID 106916783) is 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide?
The canonical SMILES for 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide is CCCNCc1ccc(N(C)CCC(=O)NC)c(Cl)c1.
What is the InChIKey of 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide?
The InChIKey is IYJYGWHNKZLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-8-18-11-12-5-6-14(13(16)10-12)19(3)9-7-15(20)17-2/h5-6,10,18H,4,7-9,11H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide?
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide has a molecular weight of 297.83 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide is sourced from PubChem (CID 106916783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).