2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

C14H15ClFNS — CID 102857811

IUPAC2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cscc1C
InChIInChI=1S/C14H15ClFNS/c1-9-7-18-8-11(9)13(17-2)6-10-4-3-5-12(15)14(10)16/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyXSYOSRWQHRQKPB-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 102857811) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID102857811
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cscc1C
InChIInChI=1S/C14H15ClFNS/c1-9-7-18-8-11(9)13(17-2)6-10-4-3-5-12(15)14(10)16/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyXSYOSRWQHRQKPB-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
1-(5-bromothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857587
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 102857856
N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
CID 115751730
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (CID 102857811) is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is CNC(Cc1cccc(Cl)c1F)c1cscc1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is XSYOSRWQHRQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9-7-18-8-11(9)13(17-2)6-10-4-3-5-12(15)14(10)16/h3-5,7-8,13,17H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.35, 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-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102857811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).