N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine

C14H17N2O2P — CID 25316246

IUPACN-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
SMILESCCc1ccc(O[P@@](C)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H17N2O2P/c1-3-12-6-8-14(9-7-12)18-19(2,17)16-13-5-4-10-15-11-13/h4-11H,3H2,1-2H3,(H,16,17)/t19-/m1/s1
InChIKeyCAKMZKSWKLZAJU-LJQANCHMSA-N
MW276.28 g/mol
LogP3.96
Rot. Bonds5

About N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine

N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine (PubChem CID 25316246) has the molecular formula C14H17N2O2P and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
PubChem CID25316246
Molecular FormulaC14H17N2O2P
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC NameN-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
SMILESCCc1ccc(O[P@@](C)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H17N2O2P/c1-3-12-6-8-14(9-7-12)18-19(2,17)16-13-5-4-10-15-11-13/h4-11H,3H2,1-2H3,(H,16,17)/t19-/m1/s1
InChIKeyCAKMZKSWKLZAJU-LJQANCHMSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860169
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
4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 2993529
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
3-ethylpyridine
CID 10823
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
ethane;ethylbenzene;3-ethylpyridine
CID 145171299

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine?
The IUPAC name of N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine (CID 25316246) is N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine.
What is the SMILES notation for N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine?
The canonical SMILES for N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine is CCc1ccc(O[P@@](C)(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine?
The InChIKey is CAKMZKSWKLZAJU-LJQANCHMSA-N. The full InChI is InChI=1S/C14H17N2O2P/c1-3-12-6-8-14(9-7-12)18-19(2,17)16-13-5-4-10-15-11-13/h4-11H,3H2,1-2H3,(H,16,17)/t19-/m1/s1.
What are the key properties of N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine?
N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine has a molecular weight of 276.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine is sourced from PubChem (CID 25316246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).