1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine

C15H18FNOS — CID 102980600

IUPAC1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Oc2cc(F)ccc2C)C(C)N)s1
InChIInChI=1S/C15H18FNOS/c1-9-4-6-12(16)8-13(9)18-15(11(3)17)14-7-5-10(2)19-14/h4-8,11,15H,17H2,1-3H3
InChIKeyZORUBSXRPKJNNS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.97
Rot. Bonds4

About 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine

1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 102980600) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID102980600
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Oc2cc(F)ccc2C)C(C)N)s1
InChIInChI=1S/C15H18FNOS/c1-9-4-6-12(16)8-13(9)18-15(11(3)17)14-7-5-10(2)19-14/h4-8,11,15H,17H2,1-3H3
InChIKeyZORUBSXRPKJNNS-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107283434
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
4-[2-amino-1-(5-methylthiophen-2-yl)butoxy]-3-fluorobenzonitrile
CID 107670285
2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine (CID 102980600) is 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(C(Oc2cc(F)ccc2C)C(C)N)s1.
What is the InChIKey of 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is ZORUBSXRPKJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-9-4-6-12(16)8-13(9)18-15(11(3)17)14-7-5-10(2)19-14/h4-8,11,15H,17H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine?
1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 102980600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).