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

C14H19N3O — CID 81318252

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C14H19N3O/c1-11(8-15)10-17(2)14(18)7-12-5-3-4-6-13(12)9-16/h3-6,11H,7,9-10,16H2,1-2H3
InChIKeyPGXLNJOEOYHUNO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.31
Rot. Bonds5

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

2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide (PubChem CID 81318252) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
PubChem CID81318252
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C14H19N3O/c1-11(8-15)10-17(2)14(18)7-12-5-3-4-6-13(12)9-16/h3-6,11H,7,9-10,16H2,1-2H3
InChIKeyPGXLNJOEOYHUNO-UHFFFAOYSA-N
XLogP1.31
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 47402323
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
2-[2-[[[2-cyanopropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81311145
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
CID 54990812
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
N-[(2S)-2-cyanopropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylacetamide
CID 94823913
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide (CID 81318252) is 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide is CC(C#N)CN(C)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide?
The InChIKey is PGXLNJOEOYHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(8-15)10-17(2)14(18)7-12-5-3-4-6-13(12)9-16/h3-6,11H,7,9-10,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide?
2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide is sourced from PubChem (CID 81318252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).