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

C10H15NO — CID 2733989

IUPAC3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCCC(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyXXSDCGNHLFVSET-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds4

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

3-(methylamino)-1-phenylpropan-1-ol (PubChem CID 2733989) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-phenylpropan-1-ol
PubChem CID2733989
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCCC(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyXXSDCGNHLFVSET-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of 3-(methylamino)-1-phenylpropan-1-ol (CID 2733989) is 3-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(methylamino)-1-phenylpropan-1-ol is CNCCC(O)c1ccccc1.
What is the InChIKey of 3-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is XXSDCGNHLFVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3.
What are the key properties of 3-(methylamino)-1-phenylpropan-1-ol?
3-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 2733989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).