2-(4-bromophenyl)ethanimidamide;hydrochloride

C8H10BrClN2 — CID 21499748

IUPAC2-(4-bromophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeyWJPKYOOURIMUTE-UHFFFAOYSA-N
MW249.54 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-bromophenyl)ethanimidamide;hydrochloride

2-(4-bromophenyl)ethanimidamide;hydrochloride (PubChem CID 21499748) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)ethanimidamide;hydrochloride
PubChem CID21499748
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name2-(4-bromophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeyWJPKYOOURIMUTE-UHFFFAOYSA-N
XLogP2.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-phenylethanimidamide
CID 27787
2-pyridin-4-ylethanimidamide
CID 5078674
2-(2,5-dibromophenyl)ethanimidamide
CID 141257590
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
CID 24709746
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)ethanimidamide;hydrochloride (CID 21499748) is 2-(4-bromophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)ethanimidamide;hydrochloride?
The InChIKey is WJPKYOOURIMUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H.
What are the key properties of 2-(4-bromophenyl)ethanimidamide;hydrochloride?
2-(4-bromophenyl)ethanimidamide;hydrochloride has a molecular weight of 249.54 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 21499748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).