(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine

C13H9BrClFIN — CID 103220431

IUPAC(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFIN/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13H,18H2
InChIKeyHUOCXBXNQXVWNQ-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.89
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine

(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine (PubChem CID 103220431) has the molecular formula C13H9BrClFIN and a molecular weight of 440.48 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
PubChem CID103220431
Molecular FormulaC13H9BrClFIN
Molecular Weight440.48 g/mol
Exact Mass438.86
IUPAC Name(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFIN/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13H,18H2
InChIKeyHUOCXBXNQXVWNQ-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 106764353
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine (CID 103220431) is (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine is NC(c1ccc(I)c(Cl)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The InChIKey is HUOCXBXNQXVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFIN/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13H,18H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine has a molecular weight of 440.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine is sourced from PubChem (CID 103220431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).