N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C15H27Cl2N3O — CID 119895285

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11-6-7-13(10-18(4)5)8-14(11)17-15(19)12(2)9-16-3;;/h6-8,12,16H,9-10H2,1-5H3,(H,17,19);2*1H
InChIKeyJEWQZKFPWHOGHW-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.69
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119895285) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119895285
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11-6-7-13(10-18(4)5)8-14(11)17-15(19)12(2)9-16-3;;/h6-8,12,16H,9-10H2,1-5H3,(H,17,19);2*1H
InChIKeyJEWQZKFPWHOGHW-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
4-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195606
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119725692
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 119725693
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119895285) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is JEWQZKFPWHOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-11-6-7-13(10-18(4)5)8-14(11)17-15(19)12(2)9-16-3;;/h6-8,12,16H,9-10H2,1-5H3,(H,17,19);2*1H.
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).