3-(2-bromophenyl)butanimidamide

C10H13BrN2 — CID 83693021

IUPAC3-(2-bromophenyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)c1ccccc1Br
InChIInChI=1S/C10H13BrN2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyYWYNBMGGCMEZCK-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.88
Rot. Bonds3

About 3-(2-bromophenyl)butanimidamide

3-(2-bromophenyl)butanimidamide (PubChem CID 83693021) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-(2-bromophenyl)butanimidamide.

Molecular Properties

Compound Name3-(2-bromophenyl)butanimidamide
PubChem CID83693021
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-(2-bromophenyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)c1ccccc1Br
InChIInChI=1S/C10H13BrN2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyYWYNBMGGCMEZCK-UHFFFAOYSA-N
XLogP2.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.88
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

3-phenylbutanimidamide;hydrochloride
CID 69158161
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
O-[1-(2-bromophenyl)ethyl]hydroxylamine
CID 117104899
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
4-(2-bromophenyl)-2-methylpentan-2-amine
CID 83913148
3-phenylsulfanylbutanimidamide
CID 60915236
3-phenoxybutanimidamide
CID 114995804
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
3-benzylsulfanylbutanimidamide
CID 60915407
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)butanimidamide?
The IUPAC name of 3-(2-bromophenyl)butanimidamide (CID 83693021) is 3-(2-bromophenyl)butanimidamide.
What is the SMILES notation for 3-(2-bromophenyl)butanimidamide?
The canonical SMILES for 3-(2-bromophenyl)butanimidamide is [H]/N=C(\N)CC(C)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)butanimidamide?
The InChIKey is YWYNBMGGCMEZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H3,12,13).
What are the key properties of 3-(2-bromophenyl)butanimidamide?
3-(2-bromophenyl)butanimidamide has a molecular weight of 241.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)butanimidamide is sourced from PubChem (CID 83693021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).