benzene;ethanamine;methanol

C13H32N2O3 — CID 91207409

IUPACbenzene;ethanamine;methanol
SMILESCCN.CCN.CO.CO.CO.c1ccccc1
InChIInChI=1S/C6H6.2C2H7N.3CH4O/c1-2-4-6-5-3-1;2*1-2-3;3*1-2/h1-6H;2*2-3H2,1H3;3*2H,1H3
InChIKeyXWUNUGGWTHWVKF-UHFFFAOYSA-N
MW264.41 g/mol
LogP0.44
Rot. Bonds

About benzene;ethanamine;methanol

benzene;ethanamine;methanol (PubChem CID 91207409) has the molecular formula C13H32N2O3 and a molecular weight of 264.41 g/mol. Its IUPAC name is benzene;ethanamine;methanol.

Molecular Properties

Compound Namebenzene;ethanamine;methanol
PubChem CID91207409
Molecular FormulaC13H32N2O3
Molecular Weight264.41 g/mol
Exact Mass264.24
IUPAC Namebenzene;ethanamine;methanol
SMILESCCN.CCN.CO.CO.CO.c1ccccc1
InChIInChI=1S/C6H6.2C2H7N.3CH4O/c1-2-4-6-5-3-1;2*1-2-3;3*1-2/h1-6H;2*2-3H2,1H3;3*2H,1H3
InChIKeyXWUNUGGWTHWVKF-UHFFFAOYSA-N
XLogP0.44
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 50.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene;ethanamine;methanol?
The IUPAC name of benzene;ethanamine;methanol (CID 91207409) is benzene;ethanamine;methanol.
What is the SMILES notation for benzene;ethanamine;methanol?
The canonical SMILES for benzene;ethanamine;methanol is CCN.CCN.CO.CO.CO.c1ccccc1.
What is the InChIKey of benzene;ethanamine;methanol?
The InChIKey is XWUNUGGWTHWVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C2H7N.3CH4O/c1-2-4-6-5-3-1;2*1-2-3;3*1-2/h1-6H;2*2-3H2,1H3;3*2H,1H3.
What are the key properties of benzene;ethanamine;methanol?
benzene;ethanamine;methanol has a molecular weight of 264.41 g/mol, XLogP of 0.44, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethanamine;methanol is sourced from PubChem (CID 91207409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).