[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol

C14H16BrNO2 — CID 64579765

IUPAC[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
SMILESCC(NCc1ccc(CO)o1)c1ccccc1Br
InChIInChI=1S/C14H16BrNO2/c1-10(13-4-2-3-5-14(13)15)16-8-11-6-7-12(9-17)18-11/h2-7,10,16-17H,8-9H2,1H3
InChIKeySDXACXYRJZTPKE-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.39
Rot. Bonds5

About [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol

[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol (PubChem CID 64579765) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
PubChem CID64579765
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
SMILESCC(NCc1ccc(CO)o1)c1ccccc1Br
InChIInChI=1S/C14H16BrNO2/c1-10(13-4-2-3-5-14(13)15)16-8-11-6-7-12(9-17)18-11/h2-7,10,16-17H,8-9H2,1H3
InChIKeySDXACXYRJZTPKE-UHFFFAOYSA-N
XLogP3.39
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43225293
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257756
[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730923
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257628
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol (CID 64579765) is [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol is CC(NCc1ccc(CO)o1)c1ccccc1Br.
What is the InChIKey of [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol?
The InChIKey is SDXACXYRJZTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(13-4-2-3-5-14(13)15)16-8-11-6-7-12(9-17)18-11/h2-7,10,16-17H,8-9H2,1H3.
What are the key properties of [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol?
[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol has a molecular weight of 310.19 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64579765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).