(2S)-1-methoxy-3-phenylpropan-2-amine

C10H15NO — CID 2794227

IUPAC(2S)-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3/t10-/m0/s1
InChIKeyFAZIHZPDHJBQKN-JTQLQIEISA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds4

About (2S)-1-methoxy-3-phenylpropan-2-amine

(2S)-1-methoxy-3-phenylpropan-2-amine (PubChem CID 2794227) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-1-methoxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-3-phenylpropan-2-amine
PubChem CID2794227
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3/t10-/m0/s1
InChIKeyFAZIHZPDHJBQKN-JTQLQIEISA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-methoxy-3-phenylpropan-2-amine (CID 2794227) is (2S)-1-methoxy-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-methoxy-3-phenylpropan-2-amine is COC[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-1-methoxy-3-phenylpropan-2-amine?
The InChIKey is FAZIHZPDHJBQKN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-methoxy-3-phenylpropan-2-amine?
(2S)-1-methoxy-3-phenylpropan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 2794227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).