N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine

C19H24NO4P — CID 134951060

IUPACN-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine
SMILESCCO[P@](=O)(OC)N(Cc1ccccc1)C[C@@]1(c2ccccc2)CO1
InChIInChI=1S/C19H24NO4P/c1-3-24-25(21,22-2)20(14-17-10-6-4-7-11-17)15-19(16-23-19)18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3/t19-,25+/m0/s1
InChIKeyGCFBZYORZGPNRX-UQBPGWFLSA-N
MW361.38 g/mol
LogP4.21
Rot. Bonds9

About N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine

N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine (PubChem CID 134951060) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine
PubChem CID134951060
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC NameN-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine
SMILESCCO[P@](=O)(OC)N(Cc1ccccc1)C[C@@]1(c2ccccc2)CO1
InChIInChI=1S/C19H24NO4P/c1-3-24-25(21,22-2)20(14-17-10-6-4-7-11-17)15-19(16-23-19)18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3/t19-,25+/m0/s1
InChIKeyGCFBZYORZGPNRX-UQBPGWFLSA-N
XLogP4.21
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
CID 135063939
(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759
2-diethoxyphosphorylethylbenzene
CID 3448525
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
N-benzyl-N-[[1-(diethoxyphosphorylmethoxy)cyclopropyl]methyl]-1-phenylmethanamine
CID 166640316
tert-butyl N-methyl-N-[(2-phenyloxiran-2-yl)methyl]carbamate
CID 54983204
benzyl ethyl methyl phosphate
CID 152677778
N-benzyl-N-[[benzyl(2-chloroethyl)amino]-methoxyphosphoryl]-2-chloroethanamine
CID 143387245
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
2-[2-[ethoxy(phenyl)phosphoryl]oxyethyl]-2-phenyl-1,3-dioxolane
CID 20710205

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine?
The IUPAC name of N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine (CID 134951060) is N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine.
What is the SMILES notation for N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine?
The canonical SMILES for N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine is CCO[P@](=O)(OC)N(Cc1ccccc1)C[C@@]1(c2ccccc2)CO1.
What is the InChIKey of N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine?
The InChIKey is GCFBZYORZGPNRX-UQBPGWFLSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-3-24-25(21,22-2)20(14-17-10-6-4-7-11-17)15-19(16-23-19)18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3/t19-,25+/m0/s1.
What are the key properties of N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine?
N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine has a molecular weight of 361.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine is sourced from PubChem (CID 134951060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).