2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

C14H19ClFNS — CID 103052717

IUPAC2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1(C)CCCS1
InChIInChI=1S/C14H19ClFNS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyYJMVOEUKWILREI-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.90
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 103052717) has the molecular formula C14H19ClFNS and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID103052717
Molecular FormulaC14H19ClFNS
Molecular Weight287.83 g/mol
Exact Mass287.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1(C)CCCS1
InChIInChI=1S/C14H19ClFNS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyYJMVOEUKWILREI-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
[2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 103053662
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055222
N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
CID 105159328
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115845087
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79058125
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 107065238

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (CID 103052717) is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1cc(Cl)ccc1F)C1(C)CCCS1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is YJMVOEUKWILREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 287.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 103052717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).