3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine

C16H22FNS — CID 80725303

IUPAC3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3ccccc3F)C2)CCCS1
InChIInChI=1S/C16H22FNS/c1-16(7-4-8-19-16)11-18-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-3,5-6,12-13,18H,4,7-11H2,1H3
InChIKeyUCURPYDCWROTRU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.95
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine

3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine (PubChem CID 80725303) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
PubChem CID80725303
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3ccccc3F)C2)CCCS1
InChIInChI=1S/C16H22FNS/c1-16(7-4-8-19-16)11-18-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-3,5-6,12-13,18H,4,7-11H2,1H3
InChIKeyUCURPYDCWROTRU-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 80723040
4-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131280
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
CID 130727910
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine (CID 80725303) is 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine is CC1(CNC2CC(c3ccccc3F)C2)CCCS1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is UCURPYDCWROTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c1-16(7-4-8-19-16)11-18-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-3,5-6,12-13,18H,4,7-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine?
3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80725303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).