N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride

C12H21ClNO3P — CID 23298000

IUPACN-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCCOP(=O)(CNCc1ccccc1)OCC.Cl
InChIInChI=1S/C12H20NO3P.ClH/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11H2,1-2H3;1H
InChIKeyLVGBPTAQVCHILQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.42
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride

N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride (PubChem CID 23298000) has the molecular formula C12H21ClNO3P and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
PubChem CID23298000
Molecular FormulaC12H21ClNO3P
Molecular Weight293.73 g/mol
Exact Mass293.09
IUPAC NameN-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCCOP(=O)(CNCc1ccccc1)OCC.Cl
InChIInChI=1S/C12H20NO3P.ClH/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11H2,1-2H3;1H
InChIKeyLVGBPTAQVCHILQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.42
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

1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine
CID 15389105
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155
2-diethoxyphosphorylethylbenzene
CID 3448525
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
CID 149250728
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride (CID 23298000) is N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride is CCOP(=O)(CNCc1ccccc1)OCC.Cl.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride?
The InChIKey is LVGBPTAQVCHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P.ClH/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11H2,1-2H3;1H.
What are the key properties of N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride?
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride has a molecular weight of 293.73 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 23298000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).