N-[tert-butyl(phenyl)phosphoryl]propan-2-amine

C13H22NOP — CID 2325297

IUPACN-[tert-butyl(phenyl)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H22NOP/c1-11(2)14-16(15,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3,(H,14,15)
InChIKeyAQZOUAICUPKQRB-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.39
Rot. Bonds3

About N-[tert-butyl(phenyl)phosphoryl]propan-2-amine

N-[tert-butyl(phenyl)phosphoryl]propan-2-amine (PubChem CID 2325297) has the molecular formula C13H22NOP and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[tert-butyl(phenyl)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[tert-butyl(phenyl)phosphoryl]propan-2-amine
PubChem CID2325297
Molecular FormulaC13H22NOP
Molecular Weight239.30 g/mol
Exact Mass239.14
IUPAC NameN-[tert-butyl(phenyl)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H22NOP/c1-11(2)14-16(15,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3,(H,14,15)
InChIKeyAQZOUAICUPKQRB-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[tert-butyl(phenyl)phosphoryl]propan-2-amine?
The IUPAC name of N-[tert-butyl(phenyl)phosphoryl]propan-2-amine (CID 2325297) is N-[tert-butyl(phenyl)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[tert-butyl(phenyl)phosphoryl]propan-2-amine?
The canonical SMILES for N-[tert-butyl(phenyl)phosphoryl]propan-2-amine is CC(C)NP(=O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(phenyl)phosphoryl]propan-2-amine?
The InChIKey is AQZOUAICUPKQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NOP/c1-11(2)14-16(15,13(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3,(H,14,15).
What are the key properties of N-[tert-butyl(phenyl)phosphoryl]propan-2-amine?
N-[tert-butyl(phenyl)phosphoryl]propan-2-amine has a molecular weight of 239.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(phenyl)phosphoryl]propan-2-amine is sourced from PubChem (CID 2325297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).