N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide

C16H18N2O — CID 16772806

IUPACN-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN)c(C)c1
InChIInChI=1S/C16H18N2O/c1-11-7-8-14(12(2)9-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySCCXSLWQXOUKJC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide

N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 16772806) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
PubChem CID16772806
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN)c(C)c1
InChIInChI=1S/C16H18N2O/c1-11-7-8-14(12(2)9-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySCCXSLWQXOUKJC-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
2-amino-N-[2-(2-methoxyethyl)phenyl]-4-methylbenzamide
CID 102907951
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide (CID 16772806) is N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccccc2CN)c(C)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is SCCXSLWQXOUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-8-14(12(2)9-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide?
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16772806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).