N-[3-(aminomethyl)phenyl]-N-methylacetamide

C10H14N2O — CID 2760942

IUPACN-[3-(aminomethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-8(13)12(2)10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3
InChIKeyDPMYETDSKOTDPX-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.13
Rot. Bonds2

About N-[3-(aminomethyl)phenyl]-N-methylacetamide

N-[3-(aminomethyl)phenyl]-N-methylacetamide (PubChem CID 2760942) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylacetamide
PubChem CID2760942
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-8(13)12(2)10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3
InChIKeyDPMYETDSKOTDPX-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
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3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
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N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
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,3,6-trimethylpyridazine-4-carboxamide
CID 104668983
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylacetamide (CID 2760942) is N-[3-(aminomethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylacetamide?
The InChIKey is DPMYETDSKOTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)12(2)10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylacetamide?
N-[3-(aminomethyl)phenyl]-N-methylacetamide has a molecular weight of 178.23 g/mol, XLogP of 1.13, 2 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-methylacetamide is sourced from PubChem (CID 2760942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).