N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide

C17H20N2O — CID 107999875

IUPACN-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C17H20N2O/c1-12-7-6-8-13(2)16(12)17(20)19(3)11-14-9-4-5-10-15(14)18/h4-10H,11,18H2,1-3H3
InChIKeySZCWLTVZNFPPRZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide

N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide (PubChem CID 107999875) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
PubChem CID107999875
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C17H20N2O/c1-12-7-6-8-13(2)16(12)17(20)19(3)11-14-9-4-5-10-15(14)18/h4-10H,11,18H2,1-3H3
InChIKeySZCWLTVZNFPPRZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.16
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-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 79759533
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
2-amino-N,6-dimethyl-N-(2-phenylethyl)benzamide
CID 61108737
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43383805

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide (CID 107999875) is N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide is Cc1cccc(C)c1C(=O)N(C)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide?
The InChIKey is SZCWLTVZNFPPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-6-8-13(2)16(12)17(20)19(3)11-14-9-4-5-10-15(14)18/h4-10H,11,18H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide?
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide is sourced from PubChem (CID 107999875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).