[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

C13H13F2NOS — CID 79886131

IUPAC[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESNCc1cc(F)c(OCCc2cccs2)c(F)c1
InChIInChI=1S/C13H13F2NOS/c14-11-6-9(8-16)7-12(15)13(11)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8,16H2
InChIKeyFFWYGVWJLRILEP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.11
Rot. Bonds5

About [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (PubChem CID 79886131) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
PubChem CID79886131
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESNCc1cc(F)c(OCCc2cccs2)c(F)c1
InChIInChI=1S/C13H13F2NOS/c14-11-6-9(8-16)7-12(15)13(11)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8,16H2
InChIKeyFFWYGVWJLRILEP-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 63776382
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63773539
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (CID 79886131) is [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is NCc1cc(F)c(OCCc2cccs2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The InChIKey is FFWYGVWJLRILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-11-6-9(8-16)7-12(15)13(11)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8,16H2.
What are the key properties of [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine has a molecular weight of 269.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 79886131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).