[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine

C20H21N2O2P — CID 175451899

IUPAC[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine
SMILESNCc1ccccc1CNOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N2O2P/c21-15-17-9-7-8-10-18(17)16-22-24-25(23,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-14,22H,15-16,21H2
InChIKeyXEVCFUBIZKGTLA-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.10
Rot. Bonds7

About [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine

[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine (PubChem CID 175451899) has the molecular formula C20H21N2O2P and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine
PubChem CID175451899
Molecular FormulaC20H21N2O2P
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine
SMILESNCc1ccccc1CNOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N2O2P/c21-15-17-9-7-8-10-18(17)16-22-24-25(23,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-14,22H,15-16,21H2
InChIKeyXEVCFUBIZKGTLA-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(aminomethyl)phenyl]methylamino]oxy-6-oxohexanoic acid
CID 139996760
[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
[2-(aminomethyl)phenyl]methylcyanamide
CID 139669460
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
CID 106186730
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443

Frequently Asked Questions

What is the IUPAC name of [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine?
The IUPAC name of [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine (CID 175451899) is [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine is NCc1ccccc1CNOP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine?
The InChIKey is XEVCFUBIZKGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O2P/c21-15-17-9-7-8-10-18(17)16-22-24-25(23,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-14,22H,15-16,21H2.
What are the key properties of [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine?
[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine has a molecular weight of 352.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine is sourced from PubChem (CID 175451899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).