N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine

C19H35N2OP — CID 4590859

IUPACN-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCc1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C19H35N2OP/c1-15(2)20(16(3)4)23(21(17(5)6)18(7)8)22-14-19-12-10-9-11-13-19/h9-13,15-18H,14H2,1-8H3
InChIKeyONBPLQYGTOGWFZ-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.67
Rot. Bonds9

About N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 4590859) has the molecular formula C19H35N2OP and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID4590859
Molecular FormulaC19H35N2OP
Molecular Weight338.48 g/mol
Exact Mass338.25
IUPAC NameN-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCc1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C19H35N2OP/c1-15(2)20(16(3)4)23(21(17(5)6)18(7)8)22-14-19-12-10-9-11-13-19/h9-13,15-18H,14H2,1-8H3
InChIKeyONBPLQYGTOGWFZ-UHFFFAOYSA-N
XLogP5.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.67
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-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 4590859) is N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(OCc1ccccc1)N(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ONBPLQYGTOGWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2OP/c1-15(2)20(16(3)4)23(21(17(5)6)18(7)8)22-14-19-12-10-9-11-13-19/h9-13,15-18H,14H2,1-8H3.
What are the key properties of N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 338.48 g/mol, XLogP of 5.67, 9 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]-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 4590859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).