4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline

C17H22NO2P — CID 11860169

IUPAC4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
SMILESCCc1ccc(N[P@@](C)(=O)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C17H22NO2P/c1-4-14-6-10-16(11-7-14)18-21(3,19)20-17-12-8-15(5-2)9-13-17/h6-13H,4-5H2,1-3H3,(H,18,19)/t21-/m0/s1
InChIKeyWBPQGHNPOWQAQH-NRFANRHFSA-N
MW303.34 g/mol
LogP5.13
Rot. Bonds6

About 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline

4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline (PubChem CID 11860169) has the molecular formula C17H22NO2P and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
PubChem CID11860169
Molecular FormulaC17H22NO2P
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
SMILESCCc1ccc(N[P@@](C)(=O)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C17H22NO2P/c1-4-14-6-10-16(11-7-14)18-21(3,19)20-17-12-8-15(5-2)9-13-17/h6-13H,4-5H2,1-3H3,(H,18,19)/t21-/m0/s1
InChIKeyWBPQGHNPOWQAQH-NRFANRHFSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
CID 25316246
3-bromo-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11861782
2,5-dichloro-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860108
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
CID 11860048
N-[(4-chlorophenoxy)-methylphosphoryl]-4-propan-2-yloxyaniline
CID 11860033
(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
CID 174775816
bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
CID 162747363
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
CID 87156122
1-(4-butoxyphenyl)-2-(4-ethylphenyl)hydrazine
CID 177145678
1-(bromomethyl)-4-dimethylphosphoryloxybenzene
CID 162183478
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline?
The IUPAC name of 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline (CID 11860169) is 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline is CCc1ccc(N[P@@](C)(=O)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline?
The InChIKey is WBPQGHNPOWQAQH-NRFANRHFSA-N. The full InChI is InChI=1S/C17H22NO2P/c1-4-14-6-10-16(11-7-14)18-21(3,19)20-17-12-8-15(5-2)9-13-17/h6-13H,4-5H2,1-3H3,(H,18,19)/t21-/m0/s1.
What are the key properties of 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline?
4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline has a molecular weight of 303.34 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 11860169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).