1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol

C14H16BrNO2 — CID 54938857

IUPAC1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C14H16BrNO2/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3
InChIKeyPVBAFTVEWDYPSA-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol

1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol (PubChem CID 54938857) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
PubChem CID54938857
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C14H16BrNO2/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3
InChIKeyPVBAFTVEWDYPSA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202354
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol (CID 54938857) is 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol is CC(NCC(O)c1cccc(Br)c1)c1ccco1.
What is the InChIKey of 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol?
The InChIKey is PVBAFTVEWDYPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol?
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol has a molecular weight of 310.19 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol is sourced from PubChem (CID 54938857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).