1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

C14H15BrFNS — CID 62601306

IUPAC1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C14H15BrFNS/c1-17-12(9-14-13(15)6-7-18-14)8-10-2-4-11(16)5-3-10/h2-7,12,17H,8-9H2,1H3
InChIKeyRTGDXXGALOPQQI-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.02
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 62601306) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID62601306
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C14H15BrFNS/c1-17-12(9-14-13(15)6-7-18-14)8-10-2-4-11(16)5-3-10/h2-7,12,17H,8-9H2,1H3
InChIKeyRTGDXXGALOPQQI-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66058825
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
3-bromo-2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]thiophene
CID 66035034
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212499

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (CID 62601306) is 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is RTGDXXGALOPQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-17-12(9-14-13(15)6-7-18-14)8-10-2-4-11(16)5-3-10/h2-7,12,17H,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 4.02, 5 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)-3-(4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 62601306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).