(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine

C13H14INS — CID 43124905

IUPAC(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(I)cc2)c(C)s1
InChIInChI=1S/C13H14INS/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3
InChIKeyBAIZZNWAVNETMW-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.02
Rot. Bonds2

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

(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine (PubChem CID 43124905) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
PubChem CID43124905
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(I)cc2)c(C)s1
InChIInChI=1S/C13H14INS/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3
InChIKeyBAIZZNWAVNETMW-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.02
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

(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236049
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 62276867
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
2-[bromo-(4-iodophenyl)methyl]-3,5-dimethylthiophene
CID 81158756
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
(2-chlorophenyl)-(4-iodophenyl)methanamine
CID 115800922

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine (CID 43124905) is (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine is Cc1cc(C(N)c2ccc(I)cc2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine?
The InChIKey is BAIZZNWAVNETMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine?
(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine has a molecular weight of 343.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 43124905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).