N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline

C23H25NO2 — CID 21407152

IUPACN-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
SMILESCCN(c1cccc(OCc2ccccc2)c1)C(C)Oc1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-24(19(2)26-22-14-8-5-9-15-22)21-13-10-16-23(17-21)25-18-20-11-6-4-7-12-20/h4-17,19H,3,18H2,1-2H3
InChIKeyREKCUVRUQNCITE-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.52
Rot. Bonds8

About N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline

N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline (PubChem CID 21407152) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
PubChem CID21407152
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
SMILESCCN(c1cccc(OCc2ccccc2)c1)C(C)Oc1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-24(19(2)26-22-14-8-5-9-15-22)21-13-10-16-23(17-21)25-18-20-11-6-4-7-12-20/h4-17,19H,3,18H2,1-2H3
InChIKeyREKCUVRUQNCITE-UHFFFAOYSA-N
XLogP5.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.52
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-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
CID 70632747
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
CID 21420217
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
CID 70632882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline?
The IUPAC name of N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline (CID 21407152) is N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline.
What is the SMILES notation for N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline?
The canonical SMILES for N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline is CCN(c1cccc(OCc2ccccc2)c1)C(C)Oc1ccccc1.
What is the InChIKey of N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline?
The InChIKey is REKCUVRUQNCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-24(19(2)26-22-14-8-5-9-15-22)21-13-10-16-23(17-21)25-18-20-11-6-4-7-12-20/h4-17,19H,3,18H2,1-2H3.
What are the key properties of N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline?
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline has a molecular weight of 347.46 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline is sourced from PubChem (CID 21407152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).