1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

C16H19F2NS — CID 115842714

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2c(F)ccc(C)c2F)s1
InChIInChI=1S/C16H19F2NS/c1-4-11-6-7-12(20-11)9-14(19-3)15-13(17)8-5-10(2)16(15)18/h5-8,14,19H,4,9H2,1-3H3
InChIKeyZHQNCQQHEUXDPO-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.40
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 115842714) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID115842714
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2c(F)ccc(C)c2F)s1
InChIInChI=1S/C16H19F2NS/c1-4-11-6-7-12(20-11)9-14(19-3)15-13(17)8-5-10(2)16(15)18/h5-8,14,19H,4,9H2,1-3H3
InChIKeyZHQNCQQHEUXDPO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107539084
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
[2-(5-chlorothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105295892
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301
[1-(5-chloro-2-methylphenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296511

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 115842714) is 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(CC(NC)c2c(F)ccc(C)c2F)s1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is ZHQNCQQHEUXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-4-11-6-7-12(20-11)9-14(19-3)15-13(17)8-5-10(2)16(15)18/h5-8,14,19H,4,9H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 295.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115842714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).