1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

C17H22FNOS — CID 105180648

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(OC)c1F
InChIInChI=1S/C17H22FNOS/c1-19-14(7-4-8-15-9-5-11-21-15)12-13-6-3-10-16(20-2)17(13)18/h3,5-6,9-11,14,19H,4,7-8,12H2,1-2H3
InChIKeyBHUBTXXLWGPYDF-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.05
Rot. Bonds8

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105180648) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105180648
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(OC)c1F
InChIInChI=1S/C17H22FNOS/c1-19-14(7-4-8-15-9-5-11-21-15)12-13-6-3-10-16(20-2)17(13)18/h3,5-6,9-11,14,19H,4,7-8,12H2,1-2H3
InChIKeyBHUBTXXLWGPYDF-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (CID 105180648) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is BHUBTXXLWGPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-19-14(7-4-8-15-9-5-11-21-15)12-13-6-3-10-16(20-2)17(13)18/h3,5-6,9-11,14,19H,4,7-8,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 307.43 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105180648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).