1-diphenylphosphanyloxy-3-phenylpropan-2-amine

C21H22NOP — CID 101232459

IUPAC1-diphenylphosphanyloxy-3-phenylpropan-2-amine
SMILESNC(COP(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H22NOP/c22-19(16-18-10-4-1-5-11-18)17-23-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17,22H2
InChIKeyJWRQIHOPLOCDOV-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.62
Rot. Bonds7

About 1-diphenylphosphanyloxy-3-phenylpropan-2-amine

1-diphenylphosphanyloxy-3-phenylpropan-2-amine (PubChem CID 101232459) has the molecular formula C21H22NOP and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-diphenylphosphanyloxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-diphenylphosphanyloxy-3-phenylpropan-2-amine
PubChem CID101232459
Molecular FormulaC21H22NOP
Molecular Weight335.39 g/mol
Exact Mass335.14
IUPAC Name1-diphenylphosphanyloxy-3-phenylpropan-2-amine
SMILESNC(COP(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H22NOP/c22-19(16-18-10-4-1-5-11-18)17-23-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17,22H2
InChIKeyJWRQIHOPLOCDOV-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyloxy-3-phenylpropan-2-amine?
The IUPAC name of 1-diphenylphosphanyloxy-3-phenylpropan-2-amine (CID 101232459) is 1-diphenylphosphanyloxy-3-phenylpropan-2-amine.
What is the SMILES notation for 1-diphenylphosphanyloxy-3-phenylpropan-2-amine?
The canonical SMILES for 1-diphenylphosphanyloxy-3-phenylpropan-2-amine is NC(COP(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-diphenylphosphanyloxy-3-phenylpropan-2-amine?
The InChIKey is JWRQIHOPLOCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NOP/c22-19(16-18-10-4-1-5-11-18)17-23-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17,22H2.
What are the key properties of 1-diphenylphosphanyloxy-3-phenylpropan-2-amine?
1-diphenylphosphanyloxy-3-phenylpropan-2-amine has a molecular weight of 335.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyloxy-3-phenylpropan-2-amine is sourced from PubChem (CID 101232459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).