N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine

C13H17ClNOP — CID 87635437

IUPACN-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C13H17ClNOP/c1-3-10-15(11-4-2)17(14,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyJUQXOJCIPOIIKC-UHFFFAOYSA-N
MW269.71 g/mol
LogP4.29
Rot. Bonds7

About N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine

N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 87635437) has the molecular formula C13H17ClNOP and a molecular weight of 269.71 g/mol. Its IUPAC name is N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID87635437
Molecular FormulaC13H17ClNOP
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC NameN-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C13H17ClNOP/c1-3-10-15(11-4-2)17(14,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyJUQXOJCIPOIIKC-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine (CID 87635437) is N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)P(=O)(Cl)Cc1ccccc1.
What is the InChIKey of N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is JUQXOJCIPOIIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClNOP/c1-3-10-15(11-4-2)17(14,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 269.71 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 87635437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).