2-(3-bromoanilino)-1-(furan-2-yl)ethanol

C12H12BrNO2 — CID 60898351

IUPAC2-(3-bromoanilino)-1-(furan-2-yl)ethanol
SMILESOC(CNc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C12H12BrNO2/c13-9-3-1-4-10(7-9)14-8-11(15)12-5-2-6-16-12/h1-7,11,14-15H,8H2
InChIKeyUFIGUYVDAGMQFT-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-bromoanilino)-1-(furan-2-yl)ethanol

2-(3-bromoanilino)-1-(furan-2-yl)ethanol (PubChem CID 60898351) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(3-bromoanilino)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-1-(furan-2-yl)ethanol
PubChem CID60898351
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(3-bromoanilino)-1-(furan-2-yl)ethanol
SMILESOC(CNc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C12H12BrNO2/c13-9-3-1-4-10(7-9)14-8-11(15)12-5-2-6-16-12/h1-7,11,14-15H,8H2
InChIKeyUFIGUYVDAGMQFT-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
CID 114260364
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
4-bromo-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzonitrile
CID 114002519
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one
CID 175516077

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-1-(furan-2-yl)ethanol (CID 60898351) is 2-(3-bromoanilino)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-1-(furan-2-yl)ethanol is OC(CNc1cccc(Br)c1)c1ccco1.
What is the InChIKey of 2-(3-bromoanilino)-1-(furan-2-yl)ethanol?
The InChIKey is UFIGUYVDAGMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-9-3-1-4-10(7-9)14-8-11(15)12-5-2-6-16-12/h1-7,11,14-15H,8H2.
What are the key properties of 2-(3-bromoanilino)-1-(furan-2-yl)ethanol?
2-(3-bromoanilino)-1-(furan-2-yl)ethanol has a molecular weight of 282.14 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 60898351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).