N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine

C24H36NO2P — CID 54122417

IUPACN-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)c1ccccc1OP(Oc1ccccc1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C24H36NO2P/c1-17(2)21-13-9-11-15-23(21)26-28(25(19(5)6)20(7)8)27-24-16-12-10-14-22(24)18(3)4/h9-20H,1-8H3
InChIKeyNOQUPPMBTQIZFW-UHFFFAOYSA-N
MW401.53 g/mol
LogP7.74
Rot. Bonds9

About N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine

N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 54122417) has the molecular formula C24H36NO2P and a molecular weight of 401.53 g/mol. Its IUPAC name is N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID54122417
Molecular FormulaC24H36NO2P
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC NameN-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)c1ccccc1OP(Oc1ccccc1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C24H36NO2P/c1-17(2)21-13-9-11-15-23(21)26-28(25(19(5)6)20(7)8)27-24-16-12-10-14-22(24)18(3)4/h9-20H,1-8H3
InChIKeyNOQUPPMBTQIZFW-UHFFFAOYSA-N
XLogP7.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine (CID 54122417) is N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine is CC(C)c1ccccc1OP(Oc1ccccc1C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is NOQUPPMBTQIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NO2P/c1-17(2)21-13-9-11-15-23(21)26-28(25(19(5)6)20(7)8)27-24-16-12-10-14-22(24)18(3)4/h9-20H,1-8H3.
What are the key properties of N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 401.53 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 54122417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).