N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine

C10H12BrFIN — CID 130626920

IUPACN-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(I)c(Br)cc1F
InChIInChI=1S/C10H12BrFIN/c1-6(2)14-5-7-3-10(13)8(11)4-9(7)12/h3-4,6,14H,5H2,1-2H3
InChIKeyQFJFWIFRCFIGLW-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.69
Rot. Bonds3

About N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine

N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine (PubChem CID 130626920) has the molecular formula C10H12BrFIN and a molecular weight of 372.02 g/mol. Its IUPAC name is N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine
PubChem CID130626920
Molecular FormulaC10H12BrFIN
Molecular Weight372.02 g/mol
Exact Mass370.92
IUPAC NameN-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(I)c(Br)cc1F
InChIInChI=1S/C10H12BrFIN/c1-6(2)14-5-7-3-10(13)8(11)4-9(7)12/h3-4,6,14H,5H2,1-2H3
InChIKeyQFJFWIFRCFIGLW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
N-[[5-(3-bromophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115503889
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[(4-bromo-2-fluoro-5-methylphenyl)methyl]-2-methylpropan-1-amine
CID 171906163
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine
CID 107961478

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine (CID 130626920) is N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine is CC(C)NCc1cc(I)c(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine?
The InChIKey is QFJFWIFRCFIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFIN/c1-6(2)14-5-7-3-10(13)8(11)4-9(7)12/h3-4,6,14H,5H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine?
N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine has a molecular weight of 372.02 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine is sourced from PubChem (CID 130626920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).