2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine

C15H17BrFNS — CID 62516456

IUPAC2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-18-10-12(9-15-14(16)5-6-19-15)7-11-3-2-4-13(17)8-11/h2-6,8,12,18H,7,9-10H2,1H3
InChIKeySTKHFKYBBLACBI-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.27
Rot. Bonds6

About 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62516456) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62516456
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-18-10-12(9-15-14(16)5-6-19-15)7-11-3-2-4-13(17)8-11/h2-6,8,12,18H,7,9-10H2,1H3
InChIKeySTKHFKYBBLACBI-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
2-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 62516122
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 62516456) is 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cccc(F)c1)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is STKHFKYBBLACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-18-10-12(9-15-14(16)5-6-19-15)7-11-3-2-4-13(17)8-11/h2-6,8,12,18H,7,9-10H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).