ethanol;methanamine;hydrobromide

C3H12BrNO — CID 175198419

IUPACethanol;methanamine;hydrobromide
SMILESBr.CCO.CN
InChIInChI=1S/C2H6O.CH5N.BrH/c1-2-3;1-2;/h3H,2H2,1H3;2H2,1H3;1H
InChIKeyWHDRDNVFDDZJIL-UHFFFAOYSA-N
MW158.04 g/mol
LogP0.15
Rot. Bonds

About ethanol;methanamine;hydrobromide

ethanol;methanamine;hydrobromide (PubChem CID 175198419) has the molecular formula C3H12BrNO and a molecular weight of 158.04 g/mol. Its IUPAC name is ethanol;methanamine;hydrobromide.

Molecular Properties

Compound Nameethanol;methanamine;hydrobromide
PubChem CID175198419
Molecular FormulaC3H12BrNO
Molecular Weight158.04 g/mol
Exact Mass157.01
IUPAC Nameethanol;methanamine;hydrobromide
SMILESBr.CCO.CN
InChIInChI=1S/C2H6O.CH5N.BrH/c1-2-3;1-2;/h3H,2H2,1H3;2H2,1H3;1H
InChIKeyWHDRDNVFDDZJIL-UHFFFAOYSA-N
XLogP0.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.04
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;methanamine;hydrobromide?
The IUPAC name of ethanol;methanamine;hydrobromide (CID 175198419) is ethanol;methanamine;hydrobromide.
What is the SMILES notation for ethanol;methanamine;hydrobromide?
The canonical SMILES for ethanol;methanamine;hydrobromide is Br.CCO.CN.
What is the InChIKey of ethanol;methanamine;hydrobromide?
The InChIKey is WHDRDNVFDDZJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH5N.BrH/c1-2-3;1-2;/h3H,2H2,1H3;2H2,1H3;1H.
What are the key properties of ethanol;methanamine;hydrobromide?
ethanol;methanamine;hydrobromide has a molecular weight of 158.04 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanamine;hydrobromide is sourced from PubChem (CID 175198419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).