2-(3-bromo-4-methylphenyl)ethanimidamide

C9H11BrN2 — CID 130663671

IUPAC2-(3-bromo-4-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyRZWNDRJHFFFXIN-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.24
Rot. Bonds2

About 2-(3-bromo-4-methylphenyl)ethanimidamide

2-(3-bromo-4-methylphenyl)ethanimidamide (PubChem CID 130663671) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)ethanimidamide
PubChem CID130663671
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name2-(3-bromo-4-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyRZWNDRJHFFFXIN-UHFFFAOYSA-N
XLogP2.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.24
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-(3-bromo-4-methylphenyl)ethanethioamide
CID 130704971
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
2-(6-methyl-3-pyridinyl)ethanimidamide
CID 83676272
2-(3-bromo-4-methylphenyl)acetaldehyde
CID 54038789
2-(2,5-dibromophenyl)ethanimidamide
CID 141257590
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
2-phenylethanimidamide
CID 27787
2-(2,4,6-trimethylphenyl)ethanimidamide
CID 3660165
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)ethanimidamide?
The IUPAC name of 2-(3-bromo-4-methylphenyl)ethanimidamide (CID 130663671) is 2-(3-bromo-4-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)ethanimidamide?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)ethanimidamide is [H]/N=C(\N)Cc1ccc(C)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)ethanimidamide?
The InChIKey is RZWNDRJHFFFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H3,11,12).
What are the key properties of 2-(3-bromo-4-methylphenyl)ethanimidamide?
2-(3-bromo-4-methylphenyl)ethanimidamide has a molecular weight of 227.11 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)ethanimidamide is sourced from PubChem (CID 130663671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).