N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine

C15H18FNOS — CID 65433257

IUPACN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(F)cccc1OC
InChIInChI=1S/C15H18FNOS/c1-3-17-13(9-11-7-8-19-10-11)15-12(16)5-4-6-14(15)18-2/h4-8,10,13,17H,3,9H2,1-2H3
InChIKeyOBEALGIVZGXHGD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine

N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine (PubChem CID 65433257) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
PubChem CID65433257
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(F)cccc1OC
InChIInChI=1S/C15H18FNOS/c1-3-17-13(9-11-7-8-19-10-11)15-12(16)5-4-6-14(15)18-2/h4-8,10,13,17H,3,9H2,1-2H3
InChIKeyOBEALGIVZGXHGD-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 65433838
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66445906
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine (CID 65433257) is N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1c(F)cccc1OC.
What is the InChIKey of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine?
The InChIKey is OBEALGIVZGXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-17-13(9-11-7-8-19-10-11)15-12(16)5-4-6-14(15)18-2/h4-8,10,13,17H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 65433257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).