(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine

C20H34NO4P — CID 15232061

IUPAC(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H34NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6,8-9,12-13,18-21H,4-5,7,10-11,14-16H2,1-3H3/t19-,20+/m0/s1
InChIKeyRMXUJURRUPMMTJ-VQTJNVASSA-N
MW383.47 g/mol
LogP5.14
Rot. Bonds11

About (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine

(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine (PubChem CID 15232061) has the molecular formula C20H34NO4P and a molecular weight of 383.47 g/mol. Its IUPAC name is (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine
PubChem CID15232061
Molecular FormulaC20H34NO4P
Molecular Weight383.47 g/mol
Exact Mass383.22
IUPAC Name(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H34NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6,8-9,12-13,18-21H,4-5,7,10-11,14-16H2,1-3H3/t19-,20+/m0/s1
InChIKeyRMXUJURRUPMMTJ-VQTJNVASSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine (CID 15232061) is (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine is CCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)C1CCCCC1.
What is the InChIKey of (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine?
The InChIKey is RMXUJURRUPMMTJ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H34NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6,8-9,12-13,18-21H,4-5,7,10-11,14-16H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine?
(1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine has a molecular weight of 383.47 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(R)-cyclohexyl(diethoxyphosphoryl)methyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 15232061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).