(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine

C20H25NO2 — CID 90138229

IUPAC(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
SMILESCC1(C)OCC([C@@H](CNCc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H25NO2/c1-20(2)22-15-19(23-20)18(17-11-7-4-8-12-17)14-21-13-16-9-5-3-6-10-16/h3-12,18-19,21H,13-15H2,1-2H3/t18-,19?/m0/s1
InChIKeyMSJAEEIKHKFNIQ-OYKVQYDMSA-N
MW311.43 g/mol
LogP3.71
Rot. Bonds6

About (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine

(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine (PubChem CID 90138229) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
PubChem CID90138229
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
SMILESCC1(C)OCC([C@@H](CNCc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H25NO2/c1-20(2)22-15-19(23-20)18(17-11-7-4-8-12-17)14-21-13-16-9-5-3-6-10-16/h3-12,18-19,21H,13-15H2,1-2H3/t18-,19?/m0/s1
InChIKeyMSJAEEIKHKFNIQ-OYKVQYDMSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine?
The IUPAC name of (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine (CID 90138229) is (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine.
What is the SMILES notation for (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine?
The canonical SMILES for (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine is CC1(C)OCC([C@@H](CNCc2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine?
The InChIKey is MSJAEEIKHKFNIQ-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2)22-15-19(23-20)18(17-11-7-4-8-12-17)14-21-13-16-9-5-3-6-10-16/h3-12,18-19,21H,13-15H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine?
(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine has a molecular weight of 311.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine is sourced from PubChem (CID 90138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).