3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol

C16H20BrNO2 — CID 115674918

IUPAC3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H20BrNO2/c1-2-18(10-3-11-19)12-15-8-9-16(20-15)13-4-6-14(17)7-5-13/h4-9,19H,2-3,10-12H2,1H3
InChIKeyVOFGPFPQTHZKFZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.91
Rot. Bonds7

About 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol

3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol (PubChem CID 115674918) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
PubChem CID115674918
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H20BrNO2/c1-2-18(10-3-11-19)12-15-8-9-16(20-15)13-4-6-14(17)7-5-13/h4-9,19H,2-3,10-12H2,1H3
InChIKeyVOFGPFPQTHZKFZ-UHFFFAOYSA-N
XLogP3.91
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
CID 21413431
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol
CID 110932920

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol (CID 115674918) is 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol?
The InChIKey is VOFGPFPQTHZKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-2-18(10-3-11-19)12-15-8-9-16(20-15)13-4-6-14(17)7-5-13/h4-9,19H,2-3,10-12H2,1H3.
What are the key properties of 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol?
3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol has a molecular weight of 338.25 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).