N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C17H20FNS — CID 65246623

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCc1cc(CNC2CC(c3ccc(F)cc3)C2)sc1C
InChIInChI=1S/C17H20FNS/c1-11-7-17(20-12(11)2)10-19-16-8-14(9-16)13-3-5-15(18)6-4-13/h3-7,14,16,19H,8-10H2,1-2H3
InChIKeyZAMYLTYMTAOTIB-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.54
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 65246623) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID65246623
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCc1cc(CNC2CC(c3ccc(F)cc3)C2)sc1C
InChIInChI=1S/C17H20FNS/c1-11-7-17(20-12(11)2)10-19-16-8-14(9-16)13-3-5-15(18)6-4-13/h3-7,14,16,19H,8-10H2,1-2H3
InChIKeyZAMYLTYMTAOTIB-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 65246623) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is Cc1cc(CNC2CC(c3ccc(F)cc3)C2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is ZAMYLTYMTAOTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-11-7-17(20-12(11)2)10-19-16-8-14(9-16)13-3-5-15(18)6-4-13/h3-7,14,16,19H,8-10H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 65246623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).