N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide

C18H22N2O — CID 62971832

IUPACN-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)c2cccc(CN)c2)c1
InChIInChI=1S/C18H22N2O/c1-13-7-8-14(2)16(9-13)11-18(21)20(3)17-6-4-5-15(10-17)12-19/h4-10H,11-12,19H2,1-3H3
InChIKeyXSYRGZLJCIQHJD-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.97
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide

N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 62971832) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
PubChem CID62971832
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)c2cccc(CN)c2)c1
InChIInChI=1S/C18H22N2O/c1-13-7-8-14(2)16(9-13)11-18(21)20(3)17-6-4-5-15(10-17)12-19/h4-10H,11-12,19H2,1-3H3
InChIKeyXSYRGZLJCIQHJD-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735699
2-(2,5-dimethylphenyl)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 62539015
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide (CID 62971832) is N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)c2cccc(CN)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is XSYRGZLJCIQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-8-14(2)16(9-13)11-18(21)20(3)17-6-4-5-15(10-17)12-19/h4-10H,11-12,19H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide?
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 282.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62971832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).