3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

C15H18BrFN2OS — CID 115941547

IUPAC3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN(C)Cc1cc(Br)cs1)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H18BrFN2OS/c1-10(15(20)14-4-3-12(17)6-18-14)7-19(2)8-13-5-11(16)9-21-13/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeyMRHYBKIGPKHNCT-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.85
Rot. Bonds6

About 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 115941547) has the molecular formula C15H18BrFN2OS and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID115941547
Molecular FormulaC15H18BrFN2OS
Molecular Weight373.29 g/mol
Exact Mass372.03
IUPAC Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN(C)Cc1cc(Br)cs1)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H18BrFN2OS/c1-10(15(20)14-4-3-12(17)6-18-14)7-19(2)8-13-5-11(16)9-21-13/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeyMRHYBKIGPKHNCT-UHFFFAOYSA-N
XLogP3.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol with MolForge

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Related Compounds

2-Pyridyl[1-(3-thienylmethyl)-4-piperidyl]methanol
CID 53193318
[1-[(5-Methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193320
{1-[(3-Methyl-2-thienyl)methyl]-4-piperidyl}(2-pyridyl)methanol
CID 53193327
2-Pyridyl[1-(2-thienylmethyl)-4-piperidyl]methanol
CID 53193339
(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 164637858
(2-Fluoropyridin-3-yl)(2-thienyl)methanol
CID 12711113
2-[[5-Amino-2-[4-(trifluoromethyl)thiophen-2-yl]piperidin-4-yl]amino]-1-(5-bromo-2-pyridinyl)ethanol
CID 69560593
[5-(2,4-Difluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883189
[5-(5-Bromothiophen-2-yl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883194
[5-(4-Fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883230
[5-(3,5-Difluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883234
[5-(2-Fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883235

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (CID 115941547) is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is CC(CN(C)Cc1cc(Br)cs1)C(O)c1ccc(F)cn1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is MRHYBKIGPKHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2OS/c1-10(15(20)14-4-3-12(17)6-18-14)7-19(2)8-13-5-11(16)9-21-13/h3-6,9-10,15,20H,7-8H2,1-2H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 373.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115941547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).