2-aminoethanol;benzene

C8H13NO — CID 19800565

IUPAC2-aminoethanol;benzene
SMILESNCCO.c1ccccc1
InChIInChI=1S/C6H6.C2H7NO/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;4H,1-3H2
InChIKeyGTZBNACEDVMNPG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.62
Rot. Bonds1

About 2-aminoethanol;benzene

2-aminoethanol;benzene (PubChem CID 19800565) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-aminoethanol;benzene.

Molecular Properties

Compound Name2-aminoethanol;benzene
PubChem CID19800565
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-aminoethanol;benzene
SMILESNCCO.c1ccccc1
InChIInChI=1S/C6H6.C2H7NO/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;4H,1-3H2
InChIKeyGTZBNACEDVMNPG-UHFFFAOYSA-N
XLogP0.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;benzene?
The IUPAC name of 2-aminoethanol;benzene (CID 19800565) is 2-aminoethanol;benzene.
What is the SMILES notation for 2-aminoethanol;benzene?
The canonical SMILES for 2-aminoethanol;benzene is NCCO.c1ccccc1.
What is the InChIKey of 2-aminoethanol;benzene?
The InChIKey is GTZBNACEDVMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H7NO/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;4H,1-3H2.
What are the key properties of 2-aminoethanol;benzene?
2-aminoethanol;benzene has a molecular weight of 139.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;benzene is sourced from PubChem (CID 19800565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).