N-dimethoxyphosphoryl-1-phenylmethanamine

C9H14NO3P — CID 10954934

IUPACN-dimethoxyphosphoryl-1-phenylmethanamine
SMILESCOP(=O)(NCc1ccccc1)OC
InChIInChI=1S/C9H14NO3P/c1-12-14(11,13-2)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11)
InChIKeyBEFPWIBHMBAXEB-UHFFFAOYSA-N
MW215.19 g/mol
LogP2.18
Rot. Bonds5

About N-dimethoxyphosphoryl-1-phenylmethanamine

N-dimethoxyphosphoryl-1-phenylmethanamine (PubChem CID 10954934) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-1-phenylmethanamine
PubChem CID10954934
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC NameN-dimethoxyphosphoryl-1-phenylmethanamine
SMILESCOP(=O)(NCc1ccccc1)OC
InChIInChI=1S/C9H14NO3P/c1-12-14(11,13-2)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11)
InChIKeyBEFPWIBHMBAXEB-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
N-[methoxy(methyl)phosphoryl]oxy-1-phenylmethanamine
CID 91066973
N-dimethoxyphosphoryl-2-phenylpropan-1-amine
CID 118201062
N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine
CID 53392367
N-[phenoxy(phenyl)phosphoryl]-1-phenylmethanamine
CID 143869037
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
CID 10848734
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
N-[2-(disulfanyl)ethoxy-methylphosphoryl]-1-phenylmethanamine
CID 145193037
dimethoxyphosphorylselanylmethylbenzene
CID 86578734
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryl-1-phenylmethanamine?
The IUPAC name of N-dimethoxyphosphoryl-1-phenylmethanamine (CID 10954934) is N-dimethoxyphosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-dimethoxyphosphoryl-1-phenylmethanamine?
The canonical SMILES for N-dimethoxyphosphoryl-1-phenylmethanamine is COP(=O)(NCc1ccccc1)OC.
What is the InChIKey of N-dimethoxyphosphoryl-1-phenylmethanamine?
The InChIKey is BEFPWIBHMBAXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c1-12-14(11,13-2)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11).
What are the key properties of N-dimethoxyphosphoryl-1-phenylmethanamine?
N-dimethoxyphosphoryl-1-phenylmethanamine has a molecular weight of 215.19 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 10954934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).