2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

C12H19N3O2 — CID 43376088

IUPAC2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-14(2)12(17)8-15(3)7-9-4-5-11(16)10(13)6-9/h4-6,16H,7-8,13H2,1-3H3
InChIKeyUUPWWEDTEONPSJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.49
Rot. Bonds4

About 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43376088) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID43376088
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-14(2)12(17)8-15(3)7-9-4-5-11(16)10(13)6-9/h4-6,16H,7-8,13H2,1-3H3
InChIKeyUUPWWEDTEONPSJ-UHFFFAOYSA-N
XLogP0.49
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 81059455
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62183273
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 43216141
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (CID 43376088) is 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1ccc(O)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is UUPWWEDTEONPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14(2)12(17)8-15(3)7-9-4-5-11(16)10(13)6-9/h4-6,16H,7-8,13H2,1-3H3.
What are the key properties of 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43376088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).