(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine

C11H17NO — CID 6711303

IUPAC(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h4-9,11-12H,1-3H3/t9-,11-/m1/s1
InChIKeyDOVSRSGMFOLJSK-MWLCHTKSSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds4

About (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine

(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 6711303) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine
PubChem CID6711303
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h4-9,11-12H,1-3H3/t9-,11-/m1/s1
InChIKeyDOVSRSGMFOLJSK-MWLCHTKSSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Phenmetrazine Hydrochloride
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Pseudoephedrine Hydrochloride
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DL-Ephedrine
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DL-Ephedrine hydrochloride
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(-)-Pseudoephedrine
CID 62946
d-Ephedrine
CID 9457

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine (CID 6711303) is (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine is CN[C@H](C)[C@@H](OC)c1ccccc1.
What is the InChIKey of (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is DOVSRSGMFOLJSK-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h4-9,11-12H,1-3H3/t9-,11-/m1/s1.
What are the key properties of (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 6711303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).