2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine

C14H14BrF2NOS — CID 115847852

IUPAC2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14BrF2NOS/c1-18-12(7-10-6-9(15)8-20-10)11-4-2-3-5-13(11)19-14(16)17/h2-6,8,12,14,18H,7H2,1H3
InChIKeyDCCURMJETGJQGY-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.62
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine (PubChem CID 115847852) has the molecular formula C14H14BrF2NOS and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
PubChem CID115847852
Molecular FormulaC14H14BrF2NOS
Molecular Weight362.24 g/mol
Exact Mass360.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14BrF2NOS/c1-18-12(7-10-6-9(15)8-20-10)11-4-2-3-5-13(11)19-14(16)17/h2-6,8,12,14,18H,7H2,1H3
InChIKeyDCCURMJETGJQGY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992818
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
CID 65236190
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62602058

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine (CID 115847852) is 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine is CNC(Cc1cc(Br)cs1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine?
The InChIKey is DCCURMJETGJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NOS/c1-18-12(7-10-6-9(15)8-20-10)11-4-2-3-5-13(11)19-14(16)17/h2-6,8,12,14,18H,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine has a molecular weight of 362.24 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 115847852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).