2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride

C11H19Cl2N3O — CID 119853176

IUPAC2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
SMILESCN(C)Cc1cccc(NC(=O)CN)c1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-14(2)8-9-4-3-5-10(6-9)13-11(15)7-12;;/h3-6H,7-8,12H2,1-2H3,(H,13,15);2*1H
InChIKeySXLNJPFOHXXQEB-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride

2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride (PubChem CID 119853176) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
PubChem CID119853176
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
SMILESCN(C)Cc1cccc(NC(=O)CN)c1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-14(2)8-9-4-3-5-10(6-9)13-11(15)7-12;;/h3-6H,7-8,12H2,1-2H3,(H,13,15);2*1H
InChIKeySXLNJPFOHXXQEB-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide
CID 175163451
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-2-methylpropanamide
CID 113233308

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride (CID 119853176) is 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride is CN(C)Cc1cccc(NC(=O)CN)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride?
The InChIKey is SXLNJPFOHXXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-14(2)8-9-4-3-5-10(6-9)13-11(15)7-12;;/h3-6H,7-8,12H2,1-2H3,(H,13,15);2*1H.
What are the key properties of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride?
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).