(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine

C14H16NO2P — CID 89464311

IUPAC(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine
SMILESCP(=O)(C1=CC=CC=C1)O[C@@H](C2=CC=CC=C2)N
InChIInChI=1S/C14H16NO2P/c1-18(16,13-10-6-3-7-11-13)17-14(15)12-8-4-2-5-9-12/h2-11,14H,15H2,1H3/t14-,18?/m0/s1
InChIKeyYERFXFONGSDHDH-PIVQAISJSA-N
MW261.26 g/mol
LogP1.70
Rot. Bonds4

About (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine

(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine (PubChem CID 89464311) has the molecular formula C14H16NO2P and a molecular weight of 261.26 g/mol. Its IUPAC name is (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine.

Molecular Properties

Compound Name(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine
PubChem CID89464311
Molecular FormulaC14H16NO2P
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine
SMILESCP(=O)(C1=CC=CC=C1)O[C@@H](C2=CC=CC=C2)N
InChIInChI=1S/C14H16NO2P/c1-18(16,13-10-6-3-7-11-13)17-14(15)12-8-4-2-5-9-12/h2-11,14H,15H2,1H3/t14-,18?/m0/s1
InChIKeyYERFXFONGSDHDH-PIVQAISJSA-N
XLogP1.70
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity296

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine?
The IUPAC name of (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine (CID 89464311) is (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine.
What is the SMILES notation for (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine?
The canonical SMILES for (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine is CP(=O)(C1=CC=CC=C1)O[C@@H](C2=CC=CC=C2)N.
What is the InChIKey of (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine?
The InChIKey is YERFXFONGSDHDH-PIVQAISJSA-N. The full InChI is InChI=1S/C14H16NO2P/c1-18(16,13-10-6-3-7-11-13)17-14(15)12-8-4-2-5-9-12/h2-11,14H,15H2,1H3/t14-,18?/m0/s1.
What are the key properties of (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine?
(S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine has a molecular weight of 261.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[methyl(phenyl)phosphoryl]oxy-phenylmethanamine is sourced from PubChem (CID 89464311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).