3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

C16H19BrFNOS — CID 115997103

IUPAC3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)Cc1cc(Br)cs1)C(O)c1ccccc1F
InChIInChI=1S/C16H19BrFNOS/c1-11(16(20)14-5-3-4-6-15(14)18)8-19(2)9-13-7-12(17)10-21-13/h3-7,10-11,16,20H,8-9H2,1-2H3
InChIKeyFSKTVKVMFHQJPY-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.45
Rot. Bonds6

About 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997103) has the molecular formula C16H19BrFNOS and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997103
Molecular FormulaC16H19BrFNOS
Molecular Weight372.30 g/mol
Exact Mass371.04
IUPAC Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)Cc1cc(Br)cs1)C(O)c1ccccc1F
InChIInChI=1S/C16H19BrFNOS/c1-11(16(20)14-5-3-4-6-15(14)18)8-19(2)9-13-7-12(17)10-21-13/h3-7,10-11,16,20H,8-9H2,1-2H3
InChIKeyFSKTVKVMFHQJPY-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997096
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
3-[(5-bromothiophen-3-yl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62618148
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997103) is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN(C)Cc1cc(Br)cs1)C(O)c1ccccc1F.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is FSKTVKVMFHQJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNOS/c1-11(16(20)14-5-3-4-6-15(14)18)8-19(2)9-13-7-12(17)10-21-13/h3-7,10-11,16,20H,8-9H2,1-2H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 372.30 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).