N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine

C15H18FNOS — CID 107661497

IUPACN-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCc1cccc(OCCNCCc2cccs2)c1F
InChIInChI=1S/C15H18FNOS/c1-12-4-2-6-14(15(12)16)18-10-9-17-8-7-13-5-3-11-19-13/h2-6,11,17H,7-10H2,1H3
InChIKeyUUKJPBLGINUYKS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine

N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 107661497) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
PubChem CID107661497
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCc1cccc(OCCNCCc2cccs2)c1F
InChIInChI=1S/C15H18FNOS/c1-12-4-2-6-14(15(12)16)18-10-9-17-8-7-13-5-3-11-19-13/h2-6,11,17H,7-10H2,1H3
InChIKeyUUKJPBLGINUYKS-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 107659455
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine (CID 107661497) is N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine is Cc1cccc(OCCNCCc2cccs2)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is UUKJPBLGINUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-12-4-2-6-14(15(12)16)18-10-9-17-8-7-13-5-3-11-19-13/h2-6,11,17H,7-10H2,1H3.
What are the key properties of N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107661497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).