2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

C14H14BrF2NOS — CID 106274257

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1sccc1OC
InChIInChI=1S/C14H14BrF2NOS/c1-18-11(14-12(19-2)5-6-20-14)7-8-10(16)4-3-9(15)13(8)17/h3-6,11,18H,7H2,1-2H3
InChIKeyWMELMNJIHLAPGM-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.30
Rot. Bonds5

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 106274257) has the molecular formula C14H14BrF2NOS and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID106274257
Molecular FormulaC14H14BrF2NOS
Molecular Weight362.24 g/mol
Exact Mass360.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1sccc1OC
InChIInChI=1S/C14H14BrF2NOS/c1-18-11(14-12(19-2)5-6-20-14)7-8-10(16)4-3-9(15)13(8)17/h3-6,11,18H,7H2,1-2H3
InChIKeyWMELMNJIHLAPGM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
N-[2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 106274329
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 106274378
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 106274016
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 114167019

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (CID 106274257) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1c(F)ccc(Br)c1F)c1sccc1OC.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is WMELMNJIHLAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NOS/c1-18-11(14-12(19-2)5-6-20-14)7-8-10(16)4-3-9(15)13(8)17/h3-6,11,18H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 362.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 106274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).