ethanol;N-methylmethanamine;hydrobromide

C4H14BrNO — CID 174899612

IUPACethanol;N-methylmethanamine;hydrobromide
SMILESBr.CCO.CNC
InChIInChI=1S/C2H7N.C2H6O.BrH/c1-3-2;1-2-3;/h3H,1-2H3;3H,2H2,1H3;1H
InChIKeyZLHKBCCQCGBZLJ-UHFFFAOYSA-N
MW172.07 g/mol
LogP0.41
Rot. Bonds

About ethanol;N-methylmethanamine;hydrobromide

ethanol;N-methylmethanamine;hydrobromide (PubChem CID 174899612) has the molecular formula C4H14BrNO and a molecular weight of 172.07 g/mol. Its IUPAC name is ethanol;N-methylmethanamine;hydrobromide.

Molecular Properties

Compound Nameethanol;N-methylmethanamine;hydrobromide
PubChem CID174899612
Molecular FormulaC4H14BrNO
Molecular Weight172.07 g/mol
Exact Mass171.03
IUPAC Nameethanol;N-methylmethanamine;hydrobromide
SMILESBr.CCO.CNC
InChIInChI=1S/C2H7N.C2H6O.BrH/c1-3-2;1-2-3;/h3H,1-2H3;3H,2H2,1H3;1H
InChIKeyZLHKBCCQCGBZLJ-UHFFFAOYSA-N
XLogP0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-methylmethanamine;hydrobromide?
The IUPAC name of ethanol;N-methylmethanamine;hydrobromide (CID 174899612) is ethanol;N-methylmethanamine;hydrobromide.
What is the SMILES notation for ethanol;N-methylmethanamine;hydrobromide?
The canonical SMILES for ethanol;N-methylmethanamine;hydrobromide is Br.CCO.CNC.
What is the InChIKey of ethanol;N-methylmethanamine;hydrobromide?
The InChIKey is ZLHKBCCQCGBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H6O.BrH/c1-3-2;1-2-3;/h3H,1-2H3;3H,2H2,1H3;1H.
What are the key properties of ethanol;N-methylmethanamine;hydrobromide?
ethanol;N-methylmethanamine;hydrobromide has a molecular weight of 172.07 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methylmethanamine;hydrobromide is sourced from PubChem (CID 174899612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).