N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide

C16H18N2O — CID 28755638

IUPACN-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h2-10H,11-12,17H2,1H3
InChIKeyMVWPYYASEPLPJC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.35
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide

N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide (PubChem CID 28755638) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
PubChem CID28755638
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h2-10H,11-12,17H2,1H3
InChIKeyMVWPYYASEPLPJC-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
CID 57069223

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide (CID 28755638) is N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide is CN(C(=O)Cc1ccccc1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide?
The InChIKey is MVWPYYASEPLPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h2-10H,11-12,17H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide?
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide has a molecular weight of 254.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 28755638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).