(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine

C17H21NO2 — CID 57391582

IUPAC(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine
SMILESCOCO[C@@H](c1ccccc1)[C@@H](CN)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-13-20-17(15-10-6-3-7-11-15)16(12-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3/t16-,17-/m0/s1
InChIKeyXNTPDGPNLLYSDT-IRXDYDNUSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds7

About (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine

(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine (PubChem CID 57391582) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine.

Molecular Properties

Compound Name(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine
PubChem CID57391582
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine
SMILESCOCO[C@@H](c1ccccc1)[C@@H](CN)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-13-20-17(15-10-6-3-7-11-15)16(12-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3/t16-,17-/m0/s1
InChIKeyXNTPDGPNLLYSDT-IRXDYDNUSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine?
The IUPAC name of (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine (CID 57391582) is (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine.
What is the SMILES notation for (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine?
The canonical SMILES for (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine is COCO[C@@H](c1ccccc1)[C@@H](CN)c1ccccc1.
What is the InChIKey of (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine?
The InChIKey is XNTPDGPNLLYSDT-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-13-20-17(15-10-6-3-7-11-15)16(12-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine?
(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine is sourced from PubChem (CID 57391582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).