4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine

C11H18FNOS — CID 103392521

IUPAC4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1sccc1C
InChIInChI=1S/C11H18FNOS/c1-9-4-7-15-10(9)11(12,8-14-2)5-3-6-13/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyFVIGTHQPRVFNCD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.61
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine (PubChem CID 103392521) has the molecular formula C11H18FNOS and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine
PubChem CID103392521
Molecular FormulaC11H18FNOS
Molecular Weight231.34 g/mol
Exact Mass231.11
IUPAC Name4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1sccc1C
InChIInChI=1S/C11H18FNOS/c1-9-4-7-15-10(9)11(12,8-14-2)5-3-6-13/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyFVIGTHQPRVFNCD-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207473
4-Fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine
CID 103392365
4-(1-Benzothiophen-7-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392380
4-Fluoro-5-methoxy-4-(5-methylthiophen-2-yl)pentan-1-amine
CID 103392405
4-Fluoro-4-(methoxymethyl)-6-thiophen-3-ylhexan-1-amine
CID 103392417
4-(5-Chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392429
4-[(4-Bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392435
4-Fluoro-5-methoxy-4-thiophen-2-ylpentan-1-amine
CID 103392463
4-(1-Benzothiophen-3-ylmethyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392473
4-Fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine
CID 103392474
4-Fluoro-5-methoxy-4-(2-methylthiophen-3-yl)pentan-1-amine
CID 103392488
4-(3-Bromothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392537

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine (CID 103392521) is 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine is COCC(F)(CCCN)c1sccc1C.
What is the InChIKey of 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine?
The InChIKey is FVIGTHQPRVFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNOS/c1-9-4-7-15-10(9)11(12,8-14-2)5-3-6-13/h4,7H,3,5-6,8,13H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(3-methylthiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 103392521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).