2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide

C13H20N2O — CID 62081363

IUPAC2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CC(CN)C(=O)N(C)C
InChIInChI=1S/C13H20N2O/c1-10-6-4-5-7-11(10)8-12(9-14)13(16)15(2)3/h4-7,12H,8-9,14H2,1-3H3
InChIKeyJFDFZEDPFZBJKG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.20
Rot. Bonds4

About 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide

2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide (PubChem CID 62081363) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
PubChem CID62081363
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CC(CN)C(=O)N(C)C
InChIInChI=1S/C13H20N2O/c1-10-6-4-5-7-11(10)8-12(9-14)13(16)15(2)3/h4-7,12H,8-9,14H2,1-3H3
InChIKeyJFDFZEDPFZBJKG-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-4-(2-methylphenyl)butanamide
CID 155475611
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
(2S,5S)-1-amino-5-[[[(2S)-6-amino-5-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dioxohexyl]disulfanyl]methyl]-2-hydroxy-6-(2-methylphenyl)hexane-3,4-dione
CID 11856329
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
3-(aminomethyl)-1-(2-methylphenyl)hexan-2-one
CID 116574564
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
5-chloro-3-[(2-methylphenyl)methyl]pentan-2-one
CID 103344201
4-(aminomethyl)-5-(2-methylphenyl)pentanoic acid
CID 112517831
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide (CID 62081363) is 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CC(CN)C(=O)N(C)C.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide?
The InChIKey is JFDFZEDPFZBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-4-5-7-11(10)8-12(9-14)13(16)15(2)3/h4-7,12H,8-9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide?
2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62081363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).