5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C14H16FNS — CID 63993598

IUPAC5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-12(15)8-13(9)16-11(3)14-10(2)6-7-17-14/h4-8,11,16H,1-3H3
InChIKeyDDTMVARZUYGDLV-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.68
Rot. Bonds3

About 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63993598) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63993598
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-12(15)8-13(9)16-11(3)14-10(2)6-7-17-14/h4-8,11,16H,1-3H3
InChIKeyDDTMVARZUYGDLV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042
2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
4-bromo-2,5-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 107609537
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63993254
2-bromo-4,6-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993019
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63990643

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63993598) is 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(F)cc1NC(C)c1sccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is DDTMVARZUYGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-4-5-12(15)8-13(9)16-11(3)14-10(2)6-7-17-14/h4-8,11,16H,1-3H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 249.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63993598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).