(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine

C17H22N2O — CID 99699520

IUPAC(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine
SMILESCOC[C@](C)(NCc1cccnc1C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-14-15(8-7-11-18-14)12-19-17(2,13-20-3)16-9-5-4-6-10-16/h4-11,19H,12-13H2,1-3H3/t17-/m0/s1
InChIKeyFVAPGITYGKSRPT-KRWDZBQOSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds6

About (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine

(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine (PubChem CID 99699520) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine
PubChem CID99699520
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine
SMILESCOC[C@](C)(NCc1cccnc1C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-14-15(8-7-11-18-14)12-19-17(2,13-20-3)16-9-5-4-6-10-16/h4-11,19H,12-13H2,1-3H3/t17-/m0/s1
InChIKeyFVAPGITYGKSRPT-KRWDZBQOSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine (CID 99699520) is (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine is COC[C@](C)(NCc1cccnc1C)c1ccccc1.
What is the InChIKey of (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine?
The InChIKey is FVAPGITYGKSRPT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-15(8-7-11-18-14)12-19-17(2,13-20-3)16-9-5-4-6-10-16/h4-11,19H,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine?
(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 99699520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).