(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine

C16H14INOS — CID 79685763

IUPAC(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2csc(I)c2)c2ccccc12
InChIInChI=1S/C16H14INOS/c1-19-14-7-6-13(11-4-2-3-5-12(11)14)16(18)10-8-15(17)20-9-10/h2-9,16H,18H2,1H3
InChIKeyCYACNHWPQKTEJX-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.56
Rot. Bonds3

About (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine

(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 79685763) has the molecular formula C16H14INOS and a molecular weight of 395.27 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID79685763
Molecular FormulaC16H14INOS
Molecular Weight395.27 g/mol
Exact Mass394.98
IUPAC Name(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2csc(I)c2)c2ccccc12
InChIInChI=1S/C16H14INOS/c1-19-14-7-6-13(11-4-2-3-5-12(11)14)16(18)10-8-15(17)20-9-10/h2-9,16H,18H2,1H3
InChIKeyCYACNHWPQKTEJX-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.56
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

(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(2-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150768
(5-bromothiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 107960853
(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107960554
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 79693205
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
2-[chloro-(4-methoxynaphthalen-1-yl)methyl]-4-methoxythiophene
CID 81118931
(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine (CID 79685763) is (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)c2csc(I)c2)c2ccccc12.
What is the InChIKey of (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is CYACNHWPQKTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INOS/c1-19-14-7-6-13(11-4-2-3-5-12(11)14)16(18)10-8-15(17)20-9-10/h2-9,16H,18H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 395.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 79685763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).