2-bromo-5-methoxyaniline;hydrochloride

C7H9BrClNO — CID 22140739

IUPAC2-bromo-5-methoxyaniline;hydrochloride
SMILESCOc1ccc(Br)c(N)c1.Cl
InChIInChI=1S/C7H8BrNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
InChIKeyUTLMWQABYASJPQ-UHFFFAOYSA-N
MW238.51 g/mol
LogP2.46
Rot. Bonds1

About 2-bromo-5-methoxyaniline;hydrochloride

2-bromo-5-methoxyaniline;hydrochloride (PubChem CID 22140739) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is 2-bromo-5-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-methoxyaniline;hydrochloride
PubChem CID22140739
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC Name2-bromo-5-methoxyaniline;hydrochloride
SMILESCOc1ccc(Br)c(N)c1.Cl
InChIInChI=1S/C7H8BrNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
InChIKeyUTLMWQABYASJPQ-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxyaniline
CID 10824
4-Bromo-3-methoxyaniline
CID 7018254
4-Bromo-3-nitroanisole
CID 79288
2-Bromo-5-methoxyaniline
CID 793016
3-Bromo-4-methoxyaniline
CID 961083
2-Bromo-4-methoxyaniline
CID 10899671
2-Bromo-4,5-dimethoxyaniline
CID 414076
5-Bromo-2-methoxyaniline
CID 3585328
2-Bromo-3-methoxyaniline
CID 10910575
2-Iodo-5-methoxyaniline
CID 11139508
2-Bromo-3-nitroanisole
CID 17750299
3-Bromo-5-methoxybenzene-1,2-diamine
CID 50879058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxyaniline;hydrochloride?
The IUPAC name of 2-bromo-5-methoxyaniline;hydrochloride (CID 22140739) is 2-bromo-5-methoxyaniline;hydrochloride.
What is the SMILES notation for 2-bromo-5-methoxyaniline;hydrochloride?
The canonical SMILES for 2-bromo-5-methoxyaniline;hydrochloride is COc1ccc(Br)c(N)c1.Cl.
What is the InChIKey of 2-bromo-5-methoxyaniline;hydrochloride?
The InChIKey is UTLMWQABYASJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H.
What are the key properties of 2-bromo-5-methoxyaniline;hydrochloride?
2-bromo-5-methoxyaniline;hydrochloride has a molecular weight of 238.51 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxyaniline;hydrochloride is sourced from PubChem (CID 22140739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).