(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine

C21H27NO2 — CID 98856115

IUPAC(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
SMILESC[C@@H]1C[C@H](N[C@H](C)c2ccccc2OCc2ccccc2)CCO1
InChIInChI=1S/C21H27NO2/c1-16-14-19(12-13-23-16)22-17(2)20-10-6-7-11-21(20)24-15-18-8-4-3-5-9-18/h3-11,16-17,19,22H,12-15H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyQJBBUCADNSODJC-ZHALLVOQSA-N
MW325.45 g/mol
LogP4.48
Rot. Bonds6

About (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine

(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine (PubChem CID 98856115) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
PubChem CID98856115
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
SMILESC[C@@H]1C[C@H](N[C@H](C)c2ccccc2OCc2ccccc2)CCO1
InChIInChI=1S/C21H27NO2/c1-16-14-19(12-13-23-16)22-17(2)20-10-6-7-11-21(20)24-15-18-8-4-3-5-9-18/h3-11,16-17,19,22H,12-15H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyQJBBUCADNSODJC-ZHALLVOQSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine?
The IUPAC name of (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine (CID 98856115) is (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine?
The canonical SMILES for (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine is C[C@@H]1C[C@H](N[C@H](C)c2ccccc2OCc2ccccc2)CCO1.
What is the InChIKey of (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine?
The InChIKey is QJBBUCADNSODJC-ZHALLVOQSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16-14-19(12-13-23-16)22-17(2)20-10-6-7-11-21(20)24-15-18-8-4-3-5-9-18/h3-11,16-17,19,22H,12-15H2,1-2H3/t16-,17-,19-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine?
(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine has a molecular weight of 325.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 98856115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).