N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline

C22H23NO2 — CID 21407175

IUPACN-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline
SMILESCCN(c1ccccc1Oc1ccccc1)C(C)Oc1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-23(18(2)24-19-12-6-4-7-13-19)21-16-10-11-17-22(21)25-20-14-8-5-9-15-20/h4-18H,3H2,1-2H3
InChIKeyHNCADEQWOIFPGM-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.73
Rot. Bonds7

About N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline

N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline (PubChem CID 21407175) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline
PubChem CID21407175
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline
SMILESCCN(c1ccccc1Oc1ccccc1)C(C)Oc1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-23(18(2)24-19-12-6-4-7-13-19)21-16-10-11-17-22(21)25-20-14-8-5-9-15-20/h4-18H,3H2,1-2H3
InChIKeyHNCADEQWOIFPGM-UHFFFAOYSA-N
XLogP5.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(1-phenoxyethyl)amino]phenyl]acetamide
CID 21407375
(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
CID 125045010
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
N'-methyl-N'-(2-phenoxyphenyl)ethane-1,2-diamine
CID 28772700
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
CID 56549439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline?
The IUPAC name of N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline (CID 21407175) is N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline.
What is the SMILES notation for N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline?
The canonical SMILES for N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline is CCN(c1ccccc1Oc1ccccc1)C(C)Oc1ccccc1.
What is the InChIKey of N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline?
The InChIKey is HNCADEQWOIFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-23(18(2)24-19-12-6-4-7-13-19)21-16-10-11-17-22(21)25-20-14-8-5-9-15-20/h4-18H,3H2,1-2H3.
What are the key properties of N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline?
N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline has a molecular weight of 333.43 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline is sourced from PubChem (CID 21407175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).