2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine

C13H18FNS — CID 105086960

IUPAC2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCC1(C(N)Cc2ccc(F)cc2)CCCS1
InChIInChI=1S/C13H18FNS/c1-13(7-2-8-16-13)12(15)9-10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,15H2,1H3
InChIKeyNBIFUBFKFZXADV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine

2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105086960) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105086960
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCC1(C(N)Cc2ccc(F)cc2)CCCS1
InChIInChI=1S/C13H18FNS/c1-13(7-2-8-16-13)12(15)9-10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,15H2,1H3
InChIKeyNBIFUBFKFZXADV-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105091740
1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
CID 105179943
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069802
4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105126897
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105169976
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine (CID 105086960) is 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine is CC1(C(N)Cc2ccc(F)cc2)CCCS1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is NBIFUBFKFZXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-13(7-2-8-16-13)12(15)9-10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine?
2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105086960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).