N-benzyl-1-diethoxyphosphorylpropan-1-amine

C14H24NO3P — CID 71361859

IUPACN-benzyl-1-diethoxyphosphorylpropan-1-amine
SMILESCCOP(=O)(OCC)C(CC)NCc1ccccc1
InChIInChI=1S/C14H24NO3P/c1-4-14(19(16,17-5-2)18-6-3)15-12-13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3
InChIKeyPREPNBHDZSGXEM-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.78
Rot. Bonds9

About N-benzyl-1-diethoxyphosphorylpropan-1-amine

N-benzyl-1-diethoxyphosphorylpropan-1-amine (PubChem CID 71361859) has the molecular formula C14H24NO3P and a molecular weight of 285.32 g/mol. Its IUPAC name is N-benzyl-1-diethoxyphosphorylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-diethoxyphosphorylpropan-1-amine
PubChem CID71361859
Molecular FormulaC14H24NO3P
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-1-diethoxyphosphorylpropan-1-amine
SMILESCCOP(=O)(OCC)C(CC)NCc1ccccc1
InChIInChI=1S/C14H24NO3P/c1-4-14(19(16,17-5-2)18-6-3)15-12-13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3
InChIKeyPREPNBHDZSGXEM-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.78
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

(3R)-3-(benzylamino)-3-diethoxyphosphorylpropanenitrile
CID 102399088
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
1-azido-N-benzyl-1-diethoxyphosphorylmethanamine
CID 24975691
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
(1S)-N-benzyl-1-diethoxyphosphoryl-1-(3-nitrophenyl)methanamine
CID 95091752
1,1-bis(diethoxyphosphoryl)-N-[(4-methylphenyl)methyl]methanamine
CID 5325126
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
bis(diethoxyphosphoryl)methylbenzene
CID 11132243

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diethoxyphosphorylpropan-1-amine?
The IUPAC name of N-benzyl-1-diethoxyphosphorylpropan-1-amine (CID 71361859) is N-benzyl-1-diethoxyphosphorylpropan-1-amine.
What is the SMILES notation for N-benzyl-1-diethoxyphosphorylpropan-1-amine?
The canonical SMILES for N-benzyl-1-diethoxyphosphorylpropan-1-amine is CCOP(=O)(OCC)C(CC)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-diethoxyphosphorylpropan-1-amine?
The InChIKey is PREPNBHDZSGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO3P/c1-4-14(19(16,17-5-2)18-6-3)15-12-13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3.
What are the key properties of N-benzyl-1-diethoxyphosphorylpropan-1-amine?
N-benzyl-1-diethoxyphosphorylpropan-1-amine has a molecular weight of 285.32 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diethoxyphosphorylpropan-1-amine is sourced from PubChem (CID 71361859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).