(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine

C11H7Br2ClINS — CID 103220480

IUPAC(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2ClINS/c12-6-4-9(17-11(6)13)10(16)5-1-2-8(15)7(14)3-5/h1-4,10H,16H2
InChIKeyKDHBQACEDZDHCN-UHFFFAOYSA-N
MW507.42 g/mol
LogP5.58
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine

(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 103220480) has the molecular formula C11H7Br2ClINS and a molecular weight of 507.42 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID103220480
Molecular FormulaC11H7Br2ClINS
Molecular Weight507.42 g/mol
Exact Mass504.74
IUPAC Name(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2ClINS/c12-6-4-9(17-11(6)13)10(16)5-1-2-8(15)7(14)3-5/h1-4,10H,16H2
InChIKeyKDHBQACEDZDHCN-UHFFFAOYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene
CID 103211270
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 106764353
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220625
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine (CID 103220480) is (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine is NC(c1ccc(I)c(Cl)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is KDHBQACEDZDHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClINS/c12-6-4-9(17-11(6)13)10(16)5-1-2-8(15)7(14)3-5/h1-4,10H,16H2.
What are the key properties of (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine?
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 507.42 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 103220480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).