2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine

C14H19ClFNS — CID 102857841

IUPAC2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)C1CCCCS1
InChIInChI=1S/C14H19ClFNS/c1-17-12(13-7-2-3-8-18-13)9-10-5-4-6-11(15)14(10)16/h4-6,12-13,17H,2-3,7-9H2,1H3
InChIKeyFTZCXCWLJTXHAW-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.90
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine (PubChem CID 102857841) has the molecular formula C14H19ClFNS and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
PubChem CID102857841
Molecular FormulaC14H19ClFNS
Molecular Weight287.83 g/mol
Exact Mass287.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)C1CCCCS1
InChIInChI=1S/C14H19ClFNS/c1-17-12(13-7-2-3-8-18-13)9-10-5-4-6-11(15)14(10)16/h4-6,12-13,17H,2-3,7-9H2,1H3
InChIKeyFTZCXCWLJTXHAW-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-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857751

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine (CID 102857841) is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine is CNC(Cc1cccc(Cl)c1F)C1CCCCS1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine?
The InChIKey is FTZCXCWLJTXHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS/c1-17-12(13-7-2-3-8-18-13)9-10-5-4-6-11(15)14(10)16/h4-6,12-13,17H,2-3,7-9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-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-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 102857841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).