methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate

C13H20N2O — CID 20778014

IUPACmethyl N-[5-(diethylamino)-2-methylphenyl]methanimidate
SMILESCCN(CC)c1ccc(C)c(/N=C/OC)c1
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)12-8-7-11(3)13(9-12)14-10-16-4/h7-10H,5-6H2,1-4H3/b14-10+
InChIKeyZSODJNKREZWMAB-GXDHUFHOSA-N
MW220.32 g/mol
LogP3.15
Rot. Bonds5

About methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate

methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate (PubChem CID 20778014) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate.

Molecular Properties

Compound Namemethyl N-[5-(diethylamino)-2-methylphenyl]methanimidate
PubChem CID20778014
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namemethyl N-[5-(diethylamino)-2-methylphenyl]methanimidate
SMILESCCN(CC)c1ccc(C)c(/N=C/OC)c1
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)12-8-7-11(3)13(9-12)14-10-16-4/h7-10H,5-6H2,1-4H3/b14-10+
InChIKeyZSODJNKREZWMAB-GXDHUFHOSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
CID 21210007
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate
CID 20778018
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
4-[5-[4-(diethylamino)-2-methylphenyl]-2,3,4-trimethoxy-6-methylphenyl]-N,N-diethyl-3-methylaniline
CID 87854299
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate?
The IUPAC name of methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate (CID 20778014) is methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate.
What is the SMILES notation for methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate?
The canonical SMILES for methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate is CCN(CC)c1ccc(C)c(/N=C/OC)c1.
What is the InChIKey of methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate?
The InChIKey is ZSODJNKREZWMAB-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15(6-2)12-8-7-11(3)13(9-12)14-10-16-4/h7-10H,5-6H2,1-4H3/b14-10+.
What are the key properties of methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate?
methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate has a molecular weight of 220.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate is sourced from PubChem (CID 20778014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).