N-(2-ethoxyethyl)-3,5-dimethoxyaniline

C12H19NO3 — CID 43387851

IUPACN-(2-ethoxyethyl)-3,5-dimethoxyaniline
SMILESCCOCCNc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H19NO3/c1-4-16-6-5-13-10-7-11(14-2)9-12(8-10)15-3/h7-9,13H,4-6H2,1-3H3
InChIKeyLOMKKJSDBHLLBV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.15
Rot. Bonds7

About N-(2-ethoxyethyl)-3,5-dimethoxyaniline

N-(2-ethoxyethyl)-3,5-dimethoxyaniline (PubChem CID 43387851) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3,5-dimethoxyaniline
PubChem CID43387851
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2-ethoxyethyl)-3,5-dimethoxyaniline
SMILESCCOCCNc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H19NO3/c1-4-16-6-5-13-10-7-11(14-2)9-12(8-10)15-3/h7-9,13H,4-6H2,1-3H3
InChIKeyLOMKKJSDBHLLBV-UHFFFAOYSA-N
XLogP2.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
3,5-dimethoxy-N-pentylaniline
CID 28575532
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
methyl 3-(3,5-dimethoxyanilino)propanoate
CID 12903398
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
CID 166385603
3-(3,5-dimethoxyanilino)propyl hydrogen sulfite
CID 57217262
3-bromo-N-(2-ethoxyethyl)-5-(trifluoromethyl)aniline
CID 65490231
3-bromo-N-(2-ethoxyethyl)-4-methylaniline
CID 63334214
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3,5-dimethoxyaniline?
The IUPAC name of N-(2-ethoxyethyl)-3,5-dimethoxyaniline (CID 43387851) is N-(2-ethoxyethyl)-3,5-dimethoxyaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-3,5-dimethoxyaniline?
The canonical SMILES for N-(2-ethoxyethyl)-3,5-dimethoxyaniline is CCOCCNc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3,5-dimethoxyaniline?
The InChIKey is LOMKKJSDBHLLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-16-6-5-13-10-7-11(14-2)9-12(8-10)15-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3,5-dimethoxyaniline?
N-(2-ethoxyethyl)-3,5-dimethoxyaniline has a molecular weight of 225.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3,5-dimethoxyaniline is sourced from PubChem (CID 43387851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).