N-[(3-aminophenyl)methyl]-N-methylacetamide

C10H14N2O — CID 28819680

IUPACN-[(3-aminophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C10H14N2O/c1-8(13)12(2)7-9-4-3-5-10(11)6-9/h3-6H,7,11H2,1-2H3
InChIKeyNQUCVLGXDOVVIV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.25
Rot. Bonds2

About N-[(3-aminophenyl)methyl]-N-methylacetamide

N-[(3-aminophenyl)methyl]-N-methylacetamide (PubChem CID 28819680) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methylacetamide
PubChem CID28819680
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[(3-aminophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C10H14N2O/c1-8(13)12(2)7-9-4-3-5-10(11)6-9/h3-6H,7,11H2,1-2H3
InChIKeyNQUCVLGXDOVVIV-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-methylpropyl N-[(3-aminophenyl)methyl]-N-methylcarbamate
CID 43457906
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
CID 43457988
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43457897
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methylacetamide (CID 28819680) is N-[(3-aminophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methylacetamide?
The InChIKey is NQUCVLGXDOVVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)12(2)7-9-4-3-5-10(11)6-9/h3-6H,7,11H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methylacetamide?
N-[(3-aminophenyl)methyl]-N-methylacetamide has a molecular weight of 178.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 28819680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).