(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine

C13H8BrCl2FIN — CID 106764353

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8BrCl2FIN/c14-8-3-2-7(12(17)11(8)16)13(19)6-1-4-10(18)9(15)5-6/h1-5,13H,19H2
InChIKeyCZPAMXVVZHCHLV-UHFFFAOYSA-N
MW474.93 g/mol
LogP5.55
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine (PubChem CID 106764353) has the molecular formula C13H8BrCl2FIN and a molecular weight of 474.93 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
PubChem CID106764353
Molecular FormulaC13H8BrCl2FIN
Molecular Weight474.93 g/mol
Exact Mass472.82
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8BrCl2FIN/c14-8-3-2-7(12(17)11(8)16)13(19)6-1-4-10(18)9(15)5-6/h1-5,13H,19H2
InChIKeyCZPAMXVVZHCHLV-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.93
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine (CID 106764353) is (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine is NC(c1ccc(I)c(Cl)c1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
The InChIKey is CZPAMXVVZHCHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FIN/c14-8-3-2-7(12(17)11(8)16)13(19)6-1-4-10(18)9(15)5-6/h1-5,13H,19H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine has a molecular weight of 474.93 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine is sourced from PubChem (CID 106764353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).