(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine

C24H28N2O2 — CID 53481953

IUPAC(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine
SMILESN[C@@H](COCc1ccc(COC[C@H](N)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c25-23(21-7-3-1-4-8-21)17-27-15-19-11-13-20(14-12-19)16-28-18-24(26)22-9-5-2-6-10-22/h1-14,23-24H,15-18,25-26H2/t23-,24-/m0/s1
InChIKeyGUQFPUJZYJOEJK-ZEQRLZLVSA-N
MW376.50 g/mol
LogP4.12
Rot. Bonds10

About (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine

(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine (PubChem CID 53481953) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine
PubChem CID53481953
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine
SMILESN[C@@H](COCc1ccc(COC[C@H](N)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c25-23(21-7-3-1-4-8-21)17-27-15-19-11-13-20(14-12-19)16-28-18-24(26)22-9-5-2-6-10-22/h1-14,23-24H,15-18,25-26H2/t23-,24-/m0/s1
InChIKeyGUQFPUJZYJOEJK-ZEQRLZLVSA-N
XLogP4.12
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine?
The IUPAC name of (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine (CID 53481953) is (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine.
What is the SMILES notation for (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine?
The canonical SMILES for (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine is N[C@@H](COCc1ccc(COC[C@H](N)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine?
The InChIKey is GUQFPUJZYJOEJK-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H28N2O2/c25-23(21-7-3-1-4-8-21)17-27-15-19-11-13-20(14-12-19)16-28-18-24(26)22-9-5-2-6-10-22/h1-14,23-24H,15-18,25-26H2/t23-,24-/m0/s1.
What are the key properties of (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine?
(1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine has a molecular weight of 376.50 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-[[(2R)-2-amino-2-phenylethoxy]methyl]phenyl]methoxy]-1-phenylethanamine is sourced from PubChem (CID 53481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).