N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine

C13H18NO3P — CID 91613836

IUPACN-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine
SMILESC=CCNP(=O)(OCC=C)c1ccc(OC)cc1
InChIInChI=1S/C13H18NO3P/c1-4-10-14-18(15,17-11-5-2)13-8-6-12(16-3)7-9-13/h4-9H,1-2,10-11H2,3H3,(H,14,15)
InChIKeyYLFAFYNKQQRGHT-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.49
Rot. Bonds8

About N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine

N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine (PubChem CID 91613836) has the molecular formula C13H18NO3P and a molecular weight of 267.26 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine
PubChem CID91613836
Molecular FormulaC13H18NO3P
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine
SMILESC=CCNP(=O)(OCC=C)c1ccc(OC)cc1
InChIInChI=1S/C13H18NO3P/c1-4-10-14-18(15,17-11-5-2)13-8-6-12(16-3)7-9-13/h4-9H,1-2,10-11H2,3H3,(H,14,15)
InChIKeyYLFAFYNKQQRGHT-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine (CID 91613836) is N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine is C=CCNP(=O)(OCC=C)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine?
The InChIKey is YLFAFYNKQQRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO3P/c1-4-10-14-18(15,17-11-5-2)13-8-6-12(16-3)7-9-13/h4-9H,1-2,10-11H2,3H3,(H,14,15).
What are the key properties of N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine?
N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine has a molecular weight of 267.26 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-prop-2-enoxyphosphoryl]prop-2-en-1-amine is sourced from PubChem (CID 91613836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).