N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

C14H16INS — CID 43488129

IUPACN-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1ccc(C)s1
InChIInChI=1S/C14H16INS/c1-3-16-14(13-8-7-10(2)17-13)11-5-4-6-12(15)9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyJKTNBXOLIKOAGT-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.36
Rot. Bonds4

About N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488129) has the molecular formula C14H16INS and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43488129
Molecular FormulaC14H16INS
Molecular Weight357.26 g/mol
Exact Mass357.00
IUPAC NameN-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1ccc(C)s1
InChIInChI=1S/C14H16INS/c1-3-16-14(13-8-7-10(2)17-13)11-5-4-6-12(15)9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyJKTNBXOLIKOAGT-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.36
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

N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
CID 115482284
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61026721
N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105053686
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490884

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43488129) is N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cccc(I)c1)c1ccc(C)s1.
What is the InChIKey of N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is JKTNBXOLIKOAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INS/c1-3-16-14(13-8-7-10(2)17-13)11-5-4-6-12(15)9-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 357.26 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).