N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide

C16H18N2O — CID 43457819

IUPACN-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-12-5-3-7-14(9-12)16(19)18(2)11-13-6-4-8-15(17)10-13/h3-10H,11,17H2,1-2H3
InChIKeyYCEAJIZMXFJSSJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.85
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide

N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 43457819) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID43457819
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-12-5-3-7-14(9-12)16(19)18(2)11-13-6-4-8-15(17)10-13/h3-10H,11,17H2,1-2H3
InChIKeyYCEAJIZMXFJSSJ-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.85
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-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide (CID 43457819) is N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2cccc(N)c2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is YCEAJIZMXFJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-5-3-7-14(9-12)16(19)18(2)11-13-6-4-8-15(17)10-13/h3-10H,11,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide?
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.85, 3 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,3-dimethylbenzamide is sourced from PubChem (CID 43457819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).