(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine

C19H24NO5P — CID 168847346

IUPAC(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine
SMILESCOCP(=O)(Oc1ccccc1)N(C)[C@H](C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24NO5P/c1-15(11-16-9-10-18-19(12-16)24-13-23-18)20(2)26(21,14-22-3)25-17-7-5-4-6-8-17/h4-10,12,15H,11,13-14H2,1-3H3/t15-,26?/m1/s1
InChIKeyAZNWONOAJZREEI-GJNAARLKSA-N
MW377.38 g/mol
LogP4.15
Rot. Bonds8

About (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine

(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine (PubChem CID 168847346) has the molecular formula C19H24NO5P and a molecular weight of 377.38 g/mol. Its IUPAC name is (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine
PubChem CID168847346
Molecular FormulaC19H24NO5P
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine
SMILESCOCP(=O)(Oc1ccccc1)N(C)[C@H](C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24NO5P/c1-15(11-16-9-10-18-19(12-16)24-13-23-18)20(2)26(21,14-22-3)25-17-7-5-4-6-8-17/h4-10,12,15H,11,13-14H2,1-3H3/t15-,26?/m1/s1
InChIKeyAZNWONOAJZREEI-GJNAARLKSA-N
XLogP4.15
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-methoxy-N,3-dimethylbutanamide
CID 167310088
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine
CID 24795365
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(dimethylamino)-N-ethylpropanamide
CID 168989439
2-methylpropyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylcarbamate
CID 168989612
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylamino]methyl]-3-methoxypropanamide
CID 168989294
N-[(2S)-1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-2-phenoxyacetamide
CID 92865489
1-(1,3-benzodioxol-5-yl)propan-2-yl 2-aminoacetate;propane
CID 142400293
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbutanamide
CID 170289986

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine (CID 168847346) is (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine is COCP(=O)(Oc1ccccc1)N(C)[C@H](C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine?
The InChIKey is AZNWONOAJZREEI-GJNAARLKSA-N. The full InChI is InChI=1S/C19H24NO5P/c1-15(11-16-9-10-18-19(12-16)24-13-23-18)20(2)26(21,14-22-3)25-17-7-5-4-6-8-17/h4-10,12,15H,11,13-14H2,1-3H3/t15-,26?/m1/s1.
What are the key properties of (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine?
(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine has a molecular weight of 377.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine is sourced from PubChem (CID 168847346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).