3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride

C19H27Cl2N3O — CID 119954106

IUPAC3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-14-9-10-15(13-22(2)3)11-18(14)21-19(23)12-17(20)16-7-5-4-6-8-16;;/h4-11,17H,12-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyARWJRAHXYIPBKS-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.93
Rot. Bonds6

About 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119954106) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119954106
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-14-9-10-15(13-22(2)3)11-18(14)21-19(23)12-17(20)16-7-5-4-6-8-16;;/h4-11,17H,12-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyARWJRAHXYIPBKS-UHFFFAOYSA-N
XLogP3.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride (CID 119954106) is 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride is Cc1ccc(CN(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is ARWJRAHXYIPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-14-9-10-15(13-22(2)3)11-18(14)21-19(23)12-17(20)16-7-5-4-6-8-16;;/h4-11,17H,12-13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119954106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).