N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide

C17H20N2O — CID 60923258

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2CN)c1
InChIInChI=1S/C17H20N2O/c1-13-6-5-9-14(10-13)17(20)19(2)12-16-8-4-3-7-15(16)11-18/h3-10H,11-12,18H2,1-2H3
InChIKeyWDIHSRAFPMJWPO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.73
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide

N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide (PubChem CID 60923258) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
PubChem CID60923258
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2CN)c1
InChIInChI=1S/C17H20N2O/c1-13-6-5-9-14(10-13)17(20)19(2)12-16-8-4-3-7-15(16)11-18/h3-10H,11-12,18H2,1-2H3
InChIKeyWDIHSRAFPMJWPO-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 65151871

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide (CID 60923258) is N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccccc2CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide?
The InChIKey is WDIHSRAFPMJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-6-5-9-14(10-13)17(20)19(2)12-16-8-4-3-7-15(16)11-18/h3-10H,11-12,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 60923258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).