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

C13H14INS — CID 43124893

IUPAC(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(I)cc2)s1
InChIInChI=1S/C13H14INS/c1-2-11-7-8-12(16-11)13(15)9-3-5-10(14)6-4-9/h3-8,13H,2,15H2,1H3
InChIKeyIJJBCGUCMFEWSP-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.96
Rot. Bonds3

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

(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine (PubChem CID 43124893) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
PubChem CID43124893
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(I)cc2)s1
InChIInChI=1S/C13H14INS/c1-2-11-7-8-12(16-11)13(15)9-3-5-10(14)6-4-9/h3-8,13H,2,15H2,1H3
InChIKeyIJJBCGUCMFEWSP-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.96
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

[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464349
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine (CID 43124893) is (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine is CCc1ccc(C(N)c2ccc(I)cc2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine?
The InChIKey is IJJBCGUCMFEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-2-11-7-8-12(16-11)13(15)9-3-5-10(14)6-4-9/h3-8,13H,2,15H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine?
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine has a molecular weight of 343.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 43124893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).