(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine

C12H12INS — CID 43124884

IUPAC(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(I)cc2)s1
InChIInChI=1S/C12H12INS/c1-8-2-7-11(15-8)12(14)9-3-5-10(13)6-4-9/h2-7,12H,14H2,1H3
InChIKeyXJARRRKRUPIHHA-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.71
Rot. Bonds2

About (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine

(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 43124884) has the molecular formula C12H12INS and a molecular weight of 329.21 g/mol. Its IUPAC name is (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID43124884
Molecular FormulaC12H12INS
Molecular Weight329.21 g/mol
Exact Mass328.97
IUPAC Name(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(I)cc2)s1
InChIInChI=1S/C12H12INS/c1-8-2-7-11(15-8)12(14)9-3-5-10(13)6-4-9/h2-7,12H,14H2,1H3
InChIKeyXJARRRKRUPIHHA-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 105162171
(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
CID 43124905
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(2-methyl-4-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 106755531
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 81283235
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methylthiophen-2-yl)methanamine
CID 43464089

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine (CID 43124884) is (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2ccc(I)cc2)s1.
What is the InChIKey of (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is XJARRRKRUPIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INS/c1-8-2-7-11(15-8)12(14)9-3-5-10(13)6-4-9/h2-7,12H,14H2,1H3.
What are the key properties of (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine?
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 329.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43124884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).