2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide

C12H19N3O — CID 83624401

IUPAC2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)CN
InChIInChI=1S/C12H19N3O/c1-9-4-5-10(8-15(2)3)6-11(9)14-12(16)7-13/h4-6H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyXCQIESBPEWEMAO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.95
Rot. Bonds4

About 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide

2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide (PubChem CID 83624401) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
PubChem CID83624401
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)CN
InChIInChI=1S/C12H19N3O/c1-9-4-5-10(8-15(2)3)6-11(9)14-12(16)7-13/h4-6H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyXCQIESBPEWEMAO-UHFFFAOYSA-N
XLogP0.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.95
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
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide;dihydrochloride
CID 119895283
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
CID 43703754

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide (CID 83624401) is 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide is Cc1ccc(CN(C)C)cc1NC(=O)CN.
What is the InChIKey of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide?
The InChIKey is XCQIESBPEWEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-5-10(8-15(2)3)6-11(9)14-12(16)7-13/h4-6H,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide?
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 83624401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).