N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine

C26H23F3NO2P — CID 102386708

IUPACN-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine
SMILESCCOC(NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C26H23F3NO2P/c1-2-32-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-33(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31)
InChIKeyYETZQIXHNQAQIY-UHFFFAOYSA-N
MW469.44 g/mol
LogP6.11
Rot. Bonds7

About N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine

N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine (PubChem CID 102386708) has the molecular formula C26H23F3NO2P and a molecular weight of 469.44 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine
PubChem CID102386708
Molecular FormulaC26H23F3NO2P
Molecular Weight469.44 g/mol
Exact Mass469.14
IUPAC NameN-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine
SMILESCCOC(NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C26H23F3NO2P/c1-2-32-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-33(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31)
InChIKeyYETZQIXHNQAQIY-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-(3-methylphenyl)ethanamine
CID 102386705
alpha-(Trifluoromethyl)-alpha-methoxyphenanthrene-9-methanamine
CID 58611151
[1-Amino-1-(3,4-dimethylphenyl)-4-[3-(trifluoromethyl)naphthalen-1-yl]butyl] acetate
CID 70377403
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-phenylethanamine
CID 102386704
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 102386706
1-(chrysen-6-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-amine
CID 174554433
6-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine
CID 57359227
(1R)-1-phenylmethoxy-3,4,7,8-tetrahydro-2H-chrysen-1-amine
CID 174585015

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine?
The IUPAC name of N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine (CID 102386708) is N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine is CCOC(NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine?
The InChIKey is YETZQIXHNQAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3NO2P/c1-2-32-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-33(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31).
What are the key properties of N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine?
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine has a molecular weight of 469.44 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 102386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).