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

C12H12FNOS — CID 66349710

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1ccc(CNc2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-12-3-2-9(6-11(12)13)7-14-10-4-5-16-8-10/h2-6,8,14H,7H2,1H3
InChIKeyYIQZNCZIMSRAFG-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds4

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

N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine (PubChem CID 66349710) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine
PubChem CID66349710
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1ccc(CNc2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-12-3-2-9(6-11(12)13)7-14-10-4-5-16-8-10/h2-6,8,14H,7H2,1H3
InChIKeyYIQZNCZIMSRAFG-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine (CID 66349710) is N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine is COc1ccc(CNc2ccsc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine?
The InChIKey is YIQZNCZIMSRAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-15-12-3-2-9(6-11(12)13)7-14-10-4-5-16-8-10/h2-6,8,14H,7H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine has a molecular weight of 237.30 g/mol, XLogP of 3.51, 4 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]thiophen-3-amine is sourced from PubChem (CID 66349710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).