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

C17H20N2O — CID 81317589

IUPAC2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C17H20N2O/c1-19(13-14-7-3-2-4-8-14)17(20)11-15-9-5-6-10-16(15)12-18/h2-10H,11-13,18H2,1H3
InChIKeyNPGVPLYLPUPLAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.35
Rot. Bonds5

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

2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide (PubChem CID 81317589) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
PubChem CID81317589
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C17H20N2O/c1-19(13-14-7-3-2-4-8-14)17(20)11-15-9-5-6-10-16(15)12-18/h2-10H,11-13,18H2,1H3
InChIKeyNPGVPLYLPUPLAV-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
CID 107653273
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide (CID 81317589) is 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide?
The InChIKey is NPGVPLYLPUPLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(13-14-7-3-2-4-8-14)17(20)11-15-9-5-6-10-16(15)12-18/h2-10H,11-13,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide?
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 81317589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).