2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine

C12H16BrFN2 — CID 126554928

IUPAC2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine
SMILESCCC/C(CN)=N\c1cc(F)c(Br)cc1C
InChIInChI=1S/C12H16BrFN2/c1-3-4-9(7-15)16-12-6-11(14)10(13)5-8(12)2/h5-6H,3-4,7,15H2,1-2H3/b16-9+
InChIKeyCHUBDHFRHYGHAA-CXUHLZMHSA-N
MW287.18 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine

2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine (PubChem CID 126554928) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine
PubChem CID126554928
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine
SMILESCCC/C(CN)=N\c1cc(F)c(Br)cc1C
InChIInChI=1S/C12H16BrFN2/c1-3-4-9(7-15)16-12-6-11(14)10(13)5-8(12)2/h5-6H,3-4,7,15H2,1-2H3/b16-9+
InChIKeyCHUBDHFRHYGHAA-CXUHLZMHSA-N
XLogP3.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine?
The IUPAC name of 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine (CID 126554928) is 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine is CCC/C(CN)=N\c1cc(F)c(Br)cc1C.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine?
The InChIKey is CHUBDHFRHYGHAA-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-3-4-9(7-15)16-12-6-11(14)10(13)5-8(12)2/h5-6H,3-4,7,15H2,1-2H3/b16-9+.
What are the key properties of 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine?
2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine has a molecular weight of 287.18 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine is sourced from PubChem (CID 126554928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).