(1S)-1-bis(phenylmethoxy)phosphorylethanamine

C16H20NO3P — CID 134925483

IUPAC(1S)-1-bis(phenylmethoxy)phosphorylethanamine
SMILESC[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H20NO3P/c1-14(17)21(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14H,12-13,17H2,1H3/t14-/m0/s1
InChIKeyBAUIXJKEHULLMZ-AWEZNQCLSA-N
MW305.31 g/mol
LogP3.92
Rot. Bonds7

About (1S)-1-bis(phenylmethoxy)phosphorylethanamine

(1S)-1-bis(phenylmethoxy)phosphorylethanamine (PubChem CID 134925483) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is (1S)-1-bis(phenylmethoxy)phosphorylethanamine.

Molecular Properties

Compound Name(1S)-1-bis(phenylmethoxy)phosphorylethanamine
PubChem CID134925483
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(1S)-1-bis(phenylmethoxy)phosphorylethanamine
SMILESC[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H20NO3P/c1-14(17)21(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14H,12-13,17H2,1H3/t14-/m0/s1
InChIKeyBAUIXJKEHULLMZ-AWEZNQCLSA-N
XLogP3.92
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.92
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 (1S)-1-bis(phenylmethoxy)phosphorylethanamine?
The IUPAC name of (1S)-1-bis(phenylmethoxy)phosphorylethanamine (CID 134925483) is (1S)-1-bis(phenylmethoxy)phosphorylethanamine.
What is the SMILES notation for (1S)-1-bis(phenylmethoxy)phosphorylethanamine?
The canonical SMILES for (1S)-1-bis(phenylmethoxy)phosphorylethanamine is C[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (1S)-1-bis(phenylmethoxy)phosphorylethanamine?
The InChIKey is BAUIXJKEHULLMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-14(17)21(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14H,12-13,17H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-bis(phenylmethoxy)phosphorylethanamine?
(1S)-1-bis(phenylmethoxy)phosphorylethanamine has a molecular weight of 305.31 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-bis(phenylmethoxy)phosphorylethanamine is sourced from PubChem (CID 134925483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).