N,2-diethyl-N-(methoxymethyl)aniline

C12H19NO — CID 174267548

IUPACN,2-diethyl-N-(methoxymethyl)aniline
SMILESCCc1ccccc1N(CC)COC
InChIInChI=1S/C12H19NO/c1-4-11-8-6-7-9-12(11)13(5-2)10-14-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBSILBLMOKCSIDE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.68
Rot. Bonds5

About N,2-diethyl-N-(methoxymethyl)aniline

N,2-diethyl-N-(methoxymethyl)aniline (PubChem CID 174267548) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,2-diethyl-N-(methoxymethyl)aniline.

Molecular Properties

Compound NameN,2-diethyl-N-(methoxymethyl)aniline
PubChem CID174267548
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,2-diethyl-N-(methoxymethyl)aniline
SMILESCCc1ccccc1N(CC)COC
InChIInChI=1S/C12H19NO/c1-4-11-8-6-7-9-12(11)13(5-2)10-14-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBSILBLMOKCSIDE-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
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N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N,N,2,3-tetraethylaniline
CID 18696135
3-[2-(diethylamino)phenyl]propanal
CID 117293834
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
(N,2-diethylanilino) acetate
CID 57360583
3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-(methoxymethyl)aniline?
The IUPAC name of N,2-diethyl-N-(methoxymethyl)aniline (CID 174267548) is N,2-diethyl-N-(methoxymethyl)aniline.
What is the SMILES notation for N,2-diethyl-N-(methoxymethyl)aniline?
The canonical SMILES for N,2-diethyl-N-(methoxymethyl)aniline is CCc1ccccc1N(CC)COC.
What is the InChIKey of N,2-diethyl-N-(methoxymethyl)aniline?
The InChIKey is BSILBLMOKCSIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11-8-6-7-9-12(11)13(5-2)10-14-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,2-diethyl-N-(methoxymethyl)aniline?
N,2-diethyl-N-(methoxymethyl)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-(methoxymethyl)aniline is sourced from PubChem (CID 174267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).