1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine

C15H18FNOS — CID 55019920

IUPAC1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C15H18FNOS/c1-2-14(17)15(11-5-3-6-12(16)9-11)18-10-13-7-4-8-19-13/h3-9,14-15H,2,10,17H2,1H3
InChIKeyZEEJQMVUPPYLNB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.88
Rot. Bonds6

About 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine

1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine (PubChem CID 55019920) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
PubChem CID55019920
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C15H18FNOS/c1-2-14(17)15(11-5-3-6-12(16)9-11)18-10-13-7-4-8-19-13/h3-9,14-15H,2,10,17H2,1H3
InChIKeyZEEJQMVUPPYLNB-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89532776
4,5,6,8-Tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine
CID 166627175
4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
CID 12225896
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CID 45381
[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 42556025
1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
CID 73168429
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
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N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl](3-thienyl)acetamide
CID 97553465
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine (CID 55019920) is 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine is CCC(N)C(OCc1cccs1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine?
The InChIKey is ZEEJQMVUPPYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-2-14(17)15(11-5-3-6-12(16)9-11)18-10-13-7-4-8-19-13/h3-9,14-15H,2,10,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine?
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine is sourced from PubChem (CID 55019920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).