2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile

C15H23N2O3P — CID 15470139

IUPAC2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile
SMILESCC(C)OP(=O)(OC(C)C)C(N)(C#N)Cc1ccccc1
InChIInChI=1S/C15H23N2O3P/c1-12(2)19-21(18,20-13(3)4)15(17,11-16)10-14-8-6-5-7-9-14/h5-9,12-13H,10,17H2,1-4H3
InChIKeyWZMGQQAMNKRRKY-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.45
Rot. Bonds7

About 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile

2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile (PubChem CID 15470139) has the molecular formula C15H23N2O3P and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile
PubChem CID15470139
Molecular FormulaC15H23N2O3P
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile
SMILESCC(C)OP(=O)(OC(C)C)C(N)(C#N)Cc1ccccc1
InChIInChI=1S/C15H23N2O3P/c1-12(2)19-21(18,20-13(3)4)15(17,11-16)10-14-8-6-5-7-9-14/h5-9,12-13H,10,17H2,1-4H3
InChIKeyWZMGQQAMNKRRKY-UHFFFAOYSA-N
XLogP3.45
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
CID 14248167
2-di(propan-2-yloxy)phosphorylsulfanyl-2-methyl-1,3-diphenylpropan-1-one
CID 11223893
2-cyano-2-methoxy-3-phenylpropanoic acid
CID 149477841
benzylsulfanyl dipropan-2-yl phosphate
CID 57006297
[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene
CID 10926784
[(R)-di(propan-2-yloxy)phosphoryl-phenylmethyl] thiocyanate
CID 101252441
methyl 2-cyano-2-methyl-3-phenylpropanoate
CID 11790291
2-methyl-3-phenyl-2-propan-2-yloxypropanamide
CID 142432674
2,2-difluoro-3-phenylpropanenitrile
CID 83855334

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile?
The IUPAC name of 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile (CID 15470139) is 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile.
What is the SMILES notation for 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile?
The canonical SMILES for 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile is CC(C)OP(=O)(OC(C)C)C(N)(C#N)Cc1ccccc1.
What is the InChIKey of 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile?
The InChIKey is WZMGQQAMNKRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O3P/c1-12(2)19-21(18,20-13(3)4)15(17,11-16)10-14-8-6-5-7-9-14/h5-9,12-13H,10,17H2,1-4H3.
What are the key properties of 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile?
2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile has a molecular weight of 310.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile is sourced from PubChem (CID 15470139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).