N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide

C17H20N2O — CID 62970953

IUPACN-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2cccc(CN)c2)c1C
InChIInChI=1S/C17H20N2O/c1-12-6-4-9-16(13(12)2)17(20)19(3)15-8-5-7-14(10-15)11-18/h4-10H,11,18H2,1-3H3
InChIKeyXHTNXECLLFSRLQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds3

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

N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide (PubChem CID 62970953) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
PubChem CID62970953
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2cccc(CN)c2)c1C
InChIInChI=1S/C17H20N2O/c1-12-6-4-9-16(13(12)2)17(20)19(3)15-8-5-7-14(10-15)11-18/h4-10H,11,18H2,1-3H3
InChIKeyXHTNXECLLFSRLQ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-N,2,3-trimethylbenzamide
CID 61296941
N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide
CID 104668983
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55180371
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N,2-dimethyl-N-phenylbenzamide
CID 5222383

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide (CID 62970953) is N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)c2cccc(CN)c2)c1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide?
The InChIKey is XHTNXECLLFSRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-4-9-16(13(12)2)17(20)19(3)15-8-5-7-14(10-15)11-18/h4-10H,11,18H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide?
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide is sourced from PubChem (CID 62970953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).