N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline

C13H21NO — CID 115259372

IUPACN-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
SMILESCCN(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H21NO/c1-7-14(5)13-9(2)8-12(15-6)10(3)11(13)4/h8H,7H2,1-6H3
InChIKeyFISAKPJTLQKYCU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.08
Rot. Bonds3

About N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline

N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline (PubChem CID 115259372) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
PubChem CID115259372
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
SMILESCCN(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H21NO/c1-7-14(5)13-9(2)8-12(15-6)10(3)11(13)4/h8H,7H2,1-6H3
InChIKeyFISAKPJTLQKYCU-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
CID 115259380
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
CID 115173052
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline?
The IUPAC name of N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline (CID 115259372) is N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline.
What is the SMILES notation for N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline?
The canonical SMILES for N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline is CCN(C)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline?
The InChIKey is FISAKPJTLQKYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-14(5)13-9(2)8-12(15-6)10(3)11(13)4/h8H,7H2,1-6H3.
What are the key properties of N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline?
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline has a molecular weight of 207.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline is sourced from PubChem (CID 115259372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).