2-[4-(aminomethyl)phenyl]-N-methylacetamide

C10H14N2O — CID 23301882

IUPAC2-[4-(aminomethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeySIFUGIPYCILDHB-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.43
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-N-methylacetamide

2-[4-(aminomethyl)phenyl]-N-methylacetamide (PubChem CID 23301882) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-methylacetamide
PubChem CID23301882
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-[4-(aminomethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeySIFUGIPYCILDHB-UHFFFAOYSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 43363710
2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
CID 43310560
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methylacetamide (CID 23301882) is 2-[4-(aminomethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-methylacetamide?
The InChIKey is SIFUGIPYCILDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-10(13)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7,11H2,1H3,(H,12,13).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-methylacetamide?
2-[4-(aminomethyl)phenyl]-N-methylacetamide has a molecular weight of 178.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 23301882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).