N-(2-ethoxyethyl)-4-methoxy-2-methylaniline

C12H19NO2 — CID 62872971

IUPACN-(2-ethoxyethyl)-4-methoxy-2-methylaniline
SMILESCCOCCNc1ccc(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-4-15-8-7-13-12-6-5-11(14-3)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyHLPBNQHJIZQUIF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds6

About N-(2-ethoxyethyl)-4-methoxy-2-methylaniline

N-(2-ethoxyethyl)-4-methoxy-2-methylaniline (PubChem CID 62872971) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-methoxy-2-methylaniline
PubChem CID62872971
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-ethoxyethyl)-4-methoxy-2-methylaniline
SMILESCCOCCNc1ccc(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-4-15-8-7-13-12-6-5-11(14-3)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyHLPBNQHJIZQUIF-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
4-methoxy-2-methyl-N-(3-methylsulfonylpropyl)aniline
CID 55160613
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
N-(2-ethoxyethyl)-3,5-dimethoxyaniline
CID 43387851
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264
4-(3-ethoxypropylamino)-3-methylbenzoic acid
CID 62709939
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-methoxy-2-methylaniline?
The IUPAC name of N-(2-ethoxyethyl)-4-methoxy-2-methylaniline (CID 62872971) is N-(2-ethoxyethyl)-4-methoxy-2-methylaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-4-methoxy-2-methylaniline?
The canonical SMILES for N-(2-ethoxyethyl)-4-methoxy-2-methylaniline is CCOCCNc1ccc(OC)cc1C.
What is the InChIKey of N-(2-ethoxyethyl)-4-methoxy-2-methylaniline?
The InChIKey is HLPBNQHJIZQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-15-8-7-13-12-6-5-11(14-3)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-4-methoxy-2-methylaniline?
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-methoxy-2-methylaniline is sourced from PubChem (CID 62872971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).