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

C16H20BrNO2 — CID 115666846

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(C)(C)CO
InChIInChI=1S/C16H20BrNO2/c1-16(2,11-19)18(3)10-14-8-9-15(20-14)12-4-6-13(17)7-5-12/h4-9,19H,10-11H2,1-3H3
InChIKeyNYLTVFPOLLCVAO-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.91
Rot. Bonds5

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

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115666846) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115666846
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(C)(C)CO
InChIInChI=1S/C16H20BrNO2/c1-16(2,11-19)18(3)10-14-8-9-15(20-14)12-4-6-13(17)7-5-12/h4-9,19H,10-11H2,1-3H3
InChIKeyNYLTVFPOLLCVAO-UHFFFAOYSA-N
XLogP3.91
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
CID 115674918
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 9107441
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 9296694
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682209
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 9107485
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol (CID 115666846) is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol is CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(C)(C)CO.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is NYLTVFPOLLCVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-16(2,11-19)18(3)10-14-8-9-15(20-14)12-4-6-13(17)7-5-12/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 338.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115666846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).