1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine

C15H18FNS — CID 105142448

IUPAC1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCc1ccc(F)cc1C(N)CCCc1cccs1
InChIInChI=1S/C15H18FNS/c1-11-7-8-12(16)10-14(11)15(17)6-2-4-13-5-3-9-18-13/h3,5,7-10,15H,2,4,6,17H2,1H3
InChIKeyPGUGPTXPGJXIBP-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.22
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine

1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105142448) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105142448
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCc1ccc(F)cc1C(N)CCCc1cccs1
InChIInChI=1S/C15H18FNS/c1-11-7-8-12(16)10-14(11)15(17)6-2-4-13-5-3-9-18-13/h3,5,7-10,15H,2,4,6,17H2,1H3
InChIKeyPGUGPTXPGJXIBP-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
CID 55134645
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105185849
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620
1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 105094222

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine (CID 105142448) is 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine is Cc1ccc(F)cc1C(N)CCCc1cccs1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is PGUGPTXPGJXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-11-7-8-12(16)10-14(11)15(17)6-2-4-13-5-3-9-18-13/h3,5,7-10,15H,2,4,6,17H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine?
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105142448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).