[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine

C14H22NO2P — CID 129383395

IUPAC[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine
SMILESCCC/C=C/C[P@@](=O)(CN)OCc1ccccc1
InChIInChI=1S/C14H22NO2P/c1-2-3-4-8-11-18(16,13-15)17-12-14-9-6-5-7-10-14/h4-10H,2-3,11-13,15H2,1H3/b8-4+/t18-/m0/s1
InChIKeyXZOJJCYTELNGLF-PYJQOMOHSA-N
MW267.31 g/mol
LogP3.75
Rot. Bonds8

About [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine

[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine (PubChem CID 129383395) has the molecular formula C14H22NO2P and a molecular weight of 267.31 g/mol. Its IUPAC name is [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine.

Molecular Properties

Compound Name[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine
PubChem CID129383395
Molecular FormulaC14H22NO2P
Molecular Weight267.31 g/mol
Exact Mass267.14
IUPAC Name[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine
SMILESCCC/C=C/C[P@@](=O)(CN)OCc1ccccc1
InChIInChI=1S/C14H22NO2P/c1-2-3-4-8-11-18(16,13-15)17-12-14-9-6-5-7-10-14/h4-10H,2-3,11-13,15H2,1H3/b8-4+/t18-/m0/s1
InChIKeyXZOJJCYTELNGLF-PYJQOMOHSA-N
XLogP3.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.75
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'}

Analyze [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl hex-2-enoate
CID 3828590
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
CID 11521542
N-[aminomethyl(phenylmethoxy)phosphoryl]butan-1-amine
CID 10563011
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
benzyl dihydrogen phosphate;octan-1-amine
CID 160516288
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane
CID 10640363

Frequently Asked Questions

What is the IUPAC name of [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine?
The IUPAC name of [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine (CID 129383395) is [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine.
What is the SMILES notation for [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine?
The canonical SMILES for [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine is CCC/C=C/C[P@@](=O)(CN)OCc1ccccc1.
What is the InChIKey of [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine?
The InChIKey is XZOJJCYTELNGLF-PYJQOMOHSA-N. The full InChI is InChI=1S/C14H22NO2P/c1-2-3-4-8-11-18(16,13-15)17-12-14-9-6-5-7-10-14/h4-10H,2-3,11-13,15H2,1H3/b8-4+/t18-/m0/s1.
What are the key properties of [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine?
[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine is sourced from PubChem (CID 129383395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).