3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine

C16H25F3NO3P — CID 15184969

IUPAC3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine
SMILESCCOP(=O)(OCC)C(C)C(NCCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H25F3NO3P/c1-4-22-24(21,23-5-2)13(3)15(16(17,18)19)20-12-11-14-9-7-6-8-10-14/h6-10,13,15,20H,4-5,11-12H2,1-3H3
InChIKeyFTUBQLFYOAOVKN-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.40
Rot. Bonds10

About 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine

3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine (PubChem CID 15184969) has the molecular formula C16H25F3NO3P and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine
PubChem CID15184969
Molecular FormulaC16H25F3NO3P
Molecular Weight367.35 g/mol
Exact Mass367.15
IUPAC Name3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine
SMILESCCOP(=O)(OCC)C(C)C(NCCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H25F3NO3P/c1-4-22-24(21,23-5-2)13(3)15(16(17,18)19)20-12-11-14-9-7-6-8-10-14/h6-10,13,15,20H,4-5,11-12H2,1-3H3
InChIKeyFTUBQLFYOAOVKN-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-diethoxyphosphoryl-1,1,1-trifluorobutan-2-yl)aniline
CID 15184968
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
4-chloro-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine
CID 121001406
(3R)-3-(benzylamino)-3-diethoxyphosphorylpropanenitrile
CID 102399088
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
2-diethoxyphosphorylethylbenzene
CID 3448525

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine?
The IUPAC name of 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine (CID 15184969) is 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine is CCOP(=O)(OCC)C(C)C(NCCc1ccccc1)C(F)(F)F.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine?
The InChIKey is FTUBQLFYOAOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3NO3P/c1-4-22-24(21,23-5-2)13(3)15(16(17,18)19)20-12-11-14-9-7-6-8-10-14/h6-10,13,15,20H,4-5,11-12H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine?
3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine has a molecular weight of 367.35 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine is sourced from PubChem (CID 15184969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).