N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide

C11H20BrNO2 — CID 20502809

IUPACN-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide
SMILESBr.CCNCC.Cc1cc(O)ccc1O
InChIInChI=1S/C7H8O2.C4H11N.BrH/c1-5-4-6(8)2-3-7(5)9;1-3-5-4-2;/h2-4,8-9H,1H3;5H,3-4H2,1-2H3;1H
InChIKeyUCEMHHJACFSASD-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.60
Rot. Bonds2

About N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide

N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide (PubChem CID 20502809) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide.

Molecular Properties

Compound NameN-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide
PubChem CID20502809
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide
SMILESBr.CCNCC.Cc1cc(O)ccc1O
InChIInChI=1S/C7H8O2.C4H11N.BrH/c1-5-4-6(8)2-3-7(5)9;1-3-5-4-2;/h2-4,8-9H,1H3;5H,3-4H2,1-2H3;1H
InChIKeyUCEMHHJACFSASD-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide?
The IUPAC name of N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide (CID 20502809) is N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide.
What is the SMILES notation for N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide?
The canonical SMILES for N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide is Br.CCNCC.Cc1cc(O)ccc1O.
What is the InChIKey of N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide?
The InChIKey is UCEMHHJACFSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C4H11N.BrH/c1-5-4-6(8)2-3-7(5)9;1-3-5-4-2;/h2-4,8-9H,1H3;5H,3-4H2,1-2H3;1H.
What are the key properties of N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide?
N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide has a molecular weight of 278.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide is sourced from PubChem (CID 20502809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).