N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine

C19H22NO2P — CID 102147220

IUPACN-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)P(C)(=O)OC(=C)c1ccccc1
InChIInChI=1S/C19H22NO2P/c1-4-15-20(16-18-11-7-5-8-12-18)23(3,21)22-17(2)19-13-9-6-10-14-19/h4-14H,1-2,15-16H2,3H3
InChIKeyDLPSTGLOYWMZKQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.18
Rot. Bonds8

About N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine

N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine (PubChem CID 102147220) has the molecular formula C19H22NO2P and a molecular weight of 327.36 g/mol. Its IUPAC name is N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine
PubChem CID102147220
Molecular FormulaC19H22NO2P
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)P(C)(=O)OC(=C)c1ccccc1
InChIInChI=1S/C19H22NO2P/c1-4-15-20(16-18-11-7-5-8-12-18)23(3,21)22-17(2)19-13-9-6-10-14-19/h4-14H,1-2,15-16H2,3H3
InChIKeyDLPSTGLOYWMZKQ-UHFFFAOYSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dibenzyl diethylphosphoramidite
CID 5066231
3,4-Dimethyl-2-(3-methyl-1-phenylbuta-1,2-dienyl)-5-phenyl-1,3,2lambda5-oxazaphospholane 2-oxide
CID 15031760
dibenzyl N,N-diisopropylphosphoramidate
CID 11057523
N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
CID 11131408
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
1-phenyl-N-[phenyl(phenylmethoxy)phosphoryl]methanamine
CID 143869057
(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate
CID 12727823
N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine
CID 15857366
(2S,4S,5R)-3,4-dimethyl-2,5-diphenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 21607560
N-diethoxyphosphoryl-1-phenyl-N-phenylmethoxymethanamine
CID 85923156
Diphenyl (dibenzylamido)phosphate
CID 101475155
(E)-N,N'-dibenzyl-N,N'-bis[methyl(1-phenylethenoxy)phosphoryl]but-2-ene-1,4-diamine
CID 102147222

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine?
The IUPAC name of N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine (CID 102147220) is N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine is C=CCN(Cc1ccccc1)P(C)(=O)OC(=C)c1ccccc1.
What is the InChIKey of N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine?
The InChIKey is DLPSTGLOYWMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO2P/c1-4-15-20(16-18-11-7-5-8-12-18)23(3,21)22-17(2)19-13-9-6-10-14-19/h4-14H,1-2,15-16H2,3H3.
What are the key properties of N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine?
N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine has a molecular weight of 327.36 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[methyl(1-phenylethenoxy)phosphoryl]prop-2-en-1-amine is sourced from PubChem (CID 102147220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).