1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol

C15H18BrNO2 — CID 62334158

IUPAC1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO2/c1-11(18)9-17(2)10-14-7-8-15(19-14)12-3-5-13(16)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYLYFZZVOHWPEFO-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.52
Rot. Bonds5

About 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol

1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol (PubChem CID 62334158) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
PubChem CID62334158
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO2/c1-11(18)9-17(2)10-14-7-8-15(19-14)12-3-5-13(16)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYLYFZZVOHWPEFO-UHFFFAOYSA-N
XLogP3.52
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
CID 62335415
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 9296694
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
CID 102192437
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
CID 115674918
1-[methyl-[(5-nitrofuran-2-yl)methyl]amino]propan-2-ol
CID 62335414
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 9107441

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol (CID 62334158) is 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol?
The InChIKey is YLYFZZVOHWPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(18)9-17(2)10-14-7-8-15(19-14)12-3-5-13(16)6-4-12/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol?
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol has a molecular weight of 324.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).