2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide

C11H17N3O2 — CID 43373789

IUPAC2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(N)cc1CN(C)CC(N)=O
InChIInChI=1S/C11H17N3O2/c1-14(7-11(13)15)6-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,12H2,1-2H3,(H2,13,15)
InChIKeyDYQFDSQCNKKCPJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.19
Rot. Bonds5

About 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide

2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 43373789) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID43373789
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(N)cc1CN(C)CC(N)=O
InChIInChI=1S/C11H17N3O2/c1-14(7-11(13)15)6-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,12H2,1-2H3,(H2,13,15)
InChIKeyDYQFDSQCNKKCPJ-UHFFFAOYSA-N
XLogP0.19
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
CID 107733778

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide (CID 43373789) is 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(N)cc1CN(C)CC(N)=O.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is DYQFDSQCNKKCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(7-11(13)15)6-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide?
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 43373789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).