(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine

C17H22NO3P — CID 10495859

IUPAC(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine
SMILESCOP(=O)(OC)[C@H](C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NO3P/c1-14(22(19,20-2)21-3)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-/m1/s1
InChIKeyAQFSLVWUXOCQIR-CQSZACIVSA-N
MW319.34 g/mol
LogP4.20
Rot. Bonds7

About (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine

(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine (PubChem CID 10495859) has the molecular formula C17H22NO3P and a molecular weight of 319.34 g/mol. Its IUPAC name is (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine.

Molecular Properties

Compound Name(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine
PubChem CID10495859
Molecular FormulaC17H22NO3P
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine
SMILESCOP(=O)(OC)[C@H](C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NO3P/c1-14(22(19,20-2)21-3)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-/m1/s1
InChIKeyAQFSLVWUXOCQIR-CQSZACIVSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine?
The IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine (CID 10495859) is (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine.
What is the SMILES notation for (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine?
The canonical SMILES for (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine is COP(=O)(OC)[C@H](C)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine?
The InChIKey is AQFSLVWUXOCQIR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22NO3P/c1-14(22(19,20-2)21-3)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine?
(1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine has a molecular weight of 319.34 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzhydryl-1-dimethoxyphosphorylethanamine is sourced from PubChem (CID 10495859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).