N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

C16H20FNOS — CID 106878110

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H20FNOS/c1-5-18-16(14-8-13(19-4)9-20-14)15-10(2)6-12(17)7-11(15)3/h6-9,16,18H,5H2,1-4H3
InChIKeyGNYGKYACPIJETK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.21
Rot. Bonds5

About N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 106878110) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID106878110
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H20FNOS/c1-5-18-16(14-8-13(19-4)9-20-14)15-10(2)6-12(17)7-11(15)3/h6-9,16,18H,5H2,1-4H3
InChIKeyGNYGKYACPIJETK-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
[(4-fluoro-2-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105302541
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105047600

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 106878110) is N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc(OC)cs1)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is GNYGKYACPIJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-5-18-16(14-8-13(19-4)9-20-14)15-10(2)6-12(17)7-11(15)3/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106878110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).