(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine

C10H9BrINS2 — CID 79693206

IUPAC(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2csc(I)c2)s1
InChIInChI=1S/C10H9BrINS2/c1-5-2-7(11)10(15-5)9(13)6-3-8(12)14-4-6/h2-4,9H,13H2,1H3
InChIKeyQNBAIOVJVCFODQ-UHFFFAOYSA-N
MW414.13 g/mol
LogP4.53
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine (PubChem CID 79693206) has the molecular formula C10H9BrINS2 and a molecular weight of 414.13 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
PubChem CID79693206
Molecular FormulaC10H9BrINS2
Molecular Weight414.13 g/mol
Exact Mass412.84
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2csc(I)c2)s1
InChIInChI=1S/C10H9BrINS2/c1-5-2-7(11)10(15-5)9(13)6-3-8(12)14-4-6/h2-4,9H,13H2,1H3
InChIKeyQNBAIOVJVCFODQ-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.13
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
2-[bromo-(5-iodothiophen-3-yl)methyl]-3,5-dimethylthiophene
CID 81158011
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 65279285
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
CID 114979107
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine (CID 79693206) is (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine is Cc1cc(Br)c(C(N)c2csc(I)c2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine?
The InChIKey is QNBAIOVJVCFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINS2/c1-5-2-7(11)10(15-5)9(13)6-3-8(12)14-4-6/h2-4,9H,13H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine has a molecular weight of 414.13 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine is sourced from PubChem (CID 79693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).