N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

C20H36FN2OP — CID 155410293

IUPACN-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCCc1cccc(F)c1)N(C(C)C)C(C)C
InChIInChI=1S/C20H36FN2OP/c1-15(2)22(16(3)4)25(23(17(5)6)18(7)8)24-13-12-19-10-9-11-20(21)14-19/h9-11,14-18H,12-13H2,1-8H3
InChIKeyBVIJVLYSTRLQNG-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.85
Rot. Bonds10

About N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155410293) has the molecular formula C20H36FN2OP and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID155410293
Molecular FormulaC20H36FN2OP
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC NameN-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCCc1cccc(F)c1)N(C(C)C)C(C)C
InChIInChI=1S/C20H36FN2OP/c1-15(2)22(16(3)4)25(23(17(5)6)18(7)8)24-13-12-19-10-9-11-20(21)14-19/h9-11,14-18H,12-13H2,1-8H3
InChIKeyBVIJVLYSTRLQNG-UHFFFAOYSA-N
XLogP5.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(3-fluorophenyl)ethanesulfonyl chloride
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CID 140972707

Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 155410293) is N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(OCCc1cccc(F)c1)N(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BVIJVLYSTRLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN2OP/c1-15(2)22(16(3)4)25(23(17(5)6)18(7)8)24-13-12-19-10-9-11-20(21)14-19/h9-11,14-18H,12-13H2,1-8H3.
What are the key properties of N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 370.49 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155410293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).