N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine

C14H16FNOS — CID 43090387

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNCCc2cccs2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-5-4-11(9-13(14)15)10-16-7-6-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyPZBQTLJGWJVYQM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 43090387) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID43090387
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNCCc2cccs2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-5-4-11(9-13(14)15)10-16-7-6-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyPZBQTLJGWJVYQM-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine (CID 43090387) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine is COc1ccc(CNCCc2cccs2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is PZBQTLJGWJVYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-17-14-5-4-11(9-13(14)15)10-16-7-6-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 43090387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).