N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine

C16H19FNO3P — CID 563390

IUPACN-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
SMILESCOP(=O)(OC)C(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FNO3P/c1-20-22(19,21-2)16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3
InChIKeyZBIKIDUGHLXSLB-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.10
Rot. Bonds7

About N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine

N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine (PubChem CID 563390) has the molecular formula C16H19FNO3P and a molecular weight of 323.30 g/mol. Its IUPAC name is N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
PubChem CID563390
Molecular FormulaC16H19FNO3P
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC NameN-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
SMILESCOP(=O)(OC)C(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FNO3P/c1-20-22(19,21-2)16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3
InChIKeyZBIKIDUGHLXSLB-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
N-benzyl-1-dimethoxyphosphoryl-1-(3-methoxyphenyl)methanamine
CID 102366933
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
[(benzylamino)-(3-fluoro-4-methoxyphenyl)methyl]phosphonic acid
CID 42950558
3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
(1R,2S)-N,N',N'-tribenzyl-2-dimethoxyphosphoryl-1-phenylethane-1,2-diamine
CID 11455079
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
CID 950630
N-[(R)-dimethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 2067070
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine (CID 563390) is N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine is COP(=O)(OC)C(NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine?
The InChIKey is ZBIKIDUGHLXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FNO3P/c1-20-22(19,21-2)16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3.
What are the key properties of N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine?
N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine has a molecular weight of 323.30 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 563390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).