1-aminopropan-2-ol;toluene

C10H17NO — CID 89389422

IUPAC1-aminopropan-2-ol;toluene
SMILESCC(O)CN.Cc1ccccc1
InChIInChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-3(5)2-4/h2-6H,1H3;3,5H,2,4H2,1H3
InChIKeyNAISFDIZGXMWLK-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.32
Rot. Bonds1

About 1-aminopropan-2-ol;toluene

1-aminopropan-2-ol;toluene (PubChem CID 89389422) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-aminopropan-2-ol;toluene.

Molecular Properties

Compound Name1-aminopropan-2-ol;toluene
PubChem CID89389422
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-aminopropan-2-ol;toluene
SMILESCC(O)CN.Cc1ccccc1
InChIInChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-3(5)2-4/h2-6H,1H3;3,5H,2,4H2,1H3
InChIKeyNAISFDIZGXMWLK-UHFFFAOYSA-N
XLogP1.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;toluene?
The IUPAC name of 1-aminopropan-2-ol;toluene (CID 89389422) is 1-aminopropan-2-ol;toluene.
What is the SMILES notation for 1-aminopropan-2-ol;toluene?
The canonical SMILES for 1-aminopropan-2-ol;toluene is CC(O)CN.Cc1ccccc1.
What is the InChIKey of 1-aminopropan-2-ol;toluene?
The InChIKey is NAISFDIZGXMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-3(5)2-4/h2-6H,1H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;toluene?
1-aminopropan-2-ol;toluene has a molecular weight of 167.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;toluene is sourced from PubChem (CID 89389422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).