N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine

C15H18FNS — CID 106878151

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H18FNS/c1-4-17-15(12-5-6-18-9-12)14-10(2)7-13(16)8-11(14)3/h5-9,15,17H,4H2,1-3H3
InChIKeyXPPTYVFLJADFEG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.20
Rot. Bonds4

About N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 106878151) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID106878151
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H18FNS/c1-4-17-15(12-5-6-18-9-12)14-10(2)7-13(16)8-11(14)3/h5-9,15,17H,4H2,1-3H3
InChIKeyXPPTYVFLJADFEG-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 79212673

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine (CID 106878151) is N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is XPPTYVFLJADFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-4-17-15(12-5-6-18-9-12)14-10(2)7-13(16)8-11(14)3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 106878151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).