N-benzhydryl-1-diethoxyphosphorylpropan-2-amine

C20H28NO3P — CID 10882944

IUPACN-benzhydryl-1-diethoxyphosphorylpropan-2-amine
SMILESCCOP(=O)(CC(C)NC(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C20H28NO3P/c1-4-23-25(22,24-5-2)16-17(3)21-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3
InChIKeyRWLFJJVQZFQWKG-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.02
Rot. Bonds10

About N-benzhydryl-1-diethoxyphosphorylpropan-2-amine

N-benzhydryl-1-diethoxyphosphorylpropan-2-amine (PubChem CID 10882944) has the molecular formula C20H28NO3P and a molecular weight of 361.42 g/mol. Its IUPAC name is N-benzhydryl-1-diethoxyphosphorylpropan-2-amine.

Molecular Properties

Compound NameN-benzhydryl-1-diethoxyphosphorylpropan-2-amine
PubChem CID10882944
Molecular FormulaC20H28NO3P
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-benzhydryl-1-diethoxyphosphorylpropan-2-amine
SMILESCCOP(=O)(CC(C)NC(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C20H28NO3P/c1-4-23-25(22,24-5-2)16-17(3)21-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3
InChIKeyRWLFJJVQZFQWKG-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.02
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

(2S)-N,N'-bis(2-diethoxyphosphorylethyl)-1,2-diphenylethane-1,2-diamine
CID 58650642
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate
CID 101491715
(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
CID 15200859
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
2-(benzhydrylamino)propan-1-ol
CID 43499566
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
(2-diethoxyphosphoryl-1-phenylethyl) benzoate
CID 56963886
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
N-[(4-tert-butylphenyl)methyl]-2-diethoxyphosphoryl-1-phenylethanamine
CID 122374142
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-diethoxyphosphorylpropan-2-amine?
The IUPAC name of N-benzhydryl-1-diethoxyphosphorylpropan-2-amine (CID 10882944) is N-benzhydryl-1-diethoxyphosphorylpropan-2-amine.
What is the SMILES notation for N-benzhydryl-1-diethoxyphosphorylpropan-2-amine?
The canonical SMILES for N-benzhydryl-1-diethoxyphosphorylpropan-2-amine is CCOP(=O)(CC(C)NC(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of N-benzhydryl-1-diethoxyphosphorylpropan-2-amine?
The InChIKey is RWLFJJVQZFQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO3P/c1-4-23-25(22,24-5-2)16-17(3)21-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3.
What are the key properties of N-benzhydryl-1-diethoxyphosphorylpropan-2-amine?
N-benzhydryl-1-diethoxyphosphorylpropan-2-amine has a molecular weight of 361.42 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-diethoxyphosphorylpropan-2-amine is sourced from PubChem (CID 10882944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).