1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine

C12H10BrF2NS — CID 63798443

IUPAC1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)4-5-17-12)7-2-3-9(14)10(15)6-7/h2-6,11,16H,1H3
InChIKeyZPIOOGNYXQEJEY-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine (PubChem CID 63798443) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
PubChem CID63798443
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)4-5-17-12)7-2-3-9(14)10(15)6-7/h2-6,11,16H,1H3
InChIKeyZPIOOGNYXQEJEY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
1-(4-bromo-3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 81291392
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114033747
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine (CID 63798443) is 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)c(F)c1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is ZPIOOGNYXQEJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)4-5-17-12)7-2-3-9(14)10(15)6-7/h2-6,11,16H,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 318.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).