[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine

C16H20NO2P — CID 89462297

IUPAC[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
SMILESCCP(=O)(OC)c1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C16H20NO2P/c1-3-20(18,19-2)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12,16H,3,17H2,1-2H3
InChIKeyIQJLAADQBIMPIE-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.30
Rot. Bonds5

About [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine

[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine (PubChem CID 89462297) has the molecular formula C16H20NO2P and a molecular weight of 289.31 g/mol. Its IUPAC name is [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine.

Molecular Properties

Compound Name[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
PubChem CID89462297
Molecular FormulaC16H20NO2P
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
SMILESCCP(=O)(OC)c1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C16H20NO2P/c1-3-20(18,19-2)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12,16H,3,17H2,1-2H3
InChIKeyIQJLAADQBIMPIE-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine?
The IUPAC name of [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine (CID 89462297) is [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine.
What is the SMILES notation for [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine?
The canonical SMILES for [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine is CCP(=O)(OC)c1ccc(C(N)c2ccccc2)cc1.
What is the InChIKey of [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine?
The InChIKey is IQJLAADQBIMPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-3-20(18,19-2)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12,16H,3,17H2,1-2H3.
What are the key properties of [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine?
[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine has a molecular weight of 289.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine is sourced from PubChem (CID 89462297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).