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

C12H21Cl2N3O — CID 119835483

IUPAC2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCN(C)Cc1ccccc1CNC(=O)CN.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-15(2)9-11-6-4-3-5-10(11)8-14-12(16)7-13;;/h3-6H,7-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyXKGMFRYKBUWLPT-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.17
Rot. Bonds5

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

2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119835483) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
PubChem CID119835483
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCN(C)Cc1ccccc1CNC(=O)CN.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-15(2)9-11-6-4-3-5-10(11)8-14-12(16)7-13;;/h3-6H,7-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyXKGMFRYKBUWLPT-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
CID 79814762
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566
N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31563060
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride (CID 119835483) is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride is CN(C)Cc1ccccc1CNC(=O)CN.Cl.Cl.
What is the InChIKey of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is XKGMFRYKBUWLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-15(2)9-11-6-4-3-5-10(11)8-14-12(16)7-13;;/h3-6H,7-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride?
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119835483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).