1-(methylamino)-3-phenylpropan-2-ol

C10H15NO — CID 3047196

IUPAC1-(methylamino)-3-phenylpropan-2-ol
SMILESCNCC(O)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-10(12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyQKDPDTZVDBRIFG-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.81
Rot. Bonds4

About 1-(methylamino)-3-phenylpropan-2-ol

1-(methylamino)-3-phenylpropan-2-ol (PubChem CID 3047196) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(methylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-phenylpropan-2-ol
PubChem CID3047196
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(methylamino)-3-phenylpropan-2-ol
SMILESCNCC(O)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-10(12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyQKDPDTZVDBRIFG-UHFFFAOYSA-N
XLogP0.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(methylamino)-3-phenylpropan-2-ol (CID 3047196) is 1-(methylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-phenylpropan-2-ol is CNCC(O)Cc1ccccc1.
What is the InChIKey of 1-(methylamino)-3-phenylpropan-2-ol?
The InChIKey is QKDPDTZVDBRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-8-10(12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3.
What are the key properties of 1-(methylamino)-3-phenylpropan-2-ol?
1-(methylamino)-3-phenylpropan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 3047196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).