(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine

C16H25NO2 — CID 97338287

IUPAC(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
SMILESCOc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyMFQPAGCERGYRGE-TZMCWYRMSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine

(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine (PubChem CID 97338287) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
PubChem CID97338287
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
SMILESCOc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyMFQPAGCERGYRGE-TZMCWYRMSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine (CID 97338287) is (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine is COc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C.
What is the InChIKey of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The InChIKey is MFQPAGCERGYRGE-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97338287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).