1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine

C15H18FNS — CID 63993264

IUPAC1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1C(C)NC(C)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-10-8-9-18-15(10)12(3)17-11(2)13-6-4-5-7-14(13)16/h4-9,11-12,17H,1-3H3
InChIKeyPPGZOFARUGQJFG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine

1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 63993264) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID63993264
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1C(C)NC(C)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-10-8-9-18-15(10)12(3)17-11(2)13-6-4-5-7-14(13)16/h4-9,11-12,17H,1-3H3
InChIKeyPPGZOFARUGQJFG-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 63993264) is 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccsc1C(C)NC(C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is PPGZOFARUGQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-10-8-9-18-15(10)12(3)17-11(2)13-6-4-5-7-14(13)16/h4-9,11-12,17H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63993264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).