2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide

C11H17N3O — CID 60930505

IUPAC2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
SMILESCc1cc(CN)ccc1N(C)CC(N)=O
InChIInChI=1S/C11H17N3O/c1-8-5-9(6-12)3-4-10(8)14(2)7-11(13)15/h3-5H,6-7,12H2,1-2H3,(H2,13,15)
InChIKeyMYRQHXYUKMOQIB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.38
Rot. Bonds4

About 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide

2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide (PubChem CID 60930505) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
PubChem CID60930505
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
SMILESCc1cc(CN)ccc1N(C)CC(N)=O
InChIInChI=1S/C11H17N3O/c1-8-5-9(6-12)3-4-10(8)14(2)7-11(13)15/h3-5H,6-7,12H2,1-2H3,(H2,13,15)
InChIKeyMYRQHXYUKMOQIB-UHFFFAOYSA-N
XLogP0.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
CID 115554562
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide (CID 60930505) is 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide is Cc1cc(CN)ccc1N(C)CC(N)=O.
What is the InChIKey of 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide?
The InChIKey is MYRQHXYUKMOQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-9(6-12)3-4-10(8)14(2)7-11(13)15/h3-5H,6-7,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide?
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide is sourced from PubChem (CID 60930505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).