2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol

C14H16BrNO3 — CID 61168153

IUPAC2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol
SMILESCOCc1c(Br)cccc1NCC(O)c1ccco1
InChIInChI=1S/C14H16BrNO3/c1-18-9-10-11(15)4-2-5-12(10)16-8-13(17)14-6-3-7-19-14/h2-7,13,16-17H,8-9H2,1H3
InChIKeyPYZLAVRAZFDLEW-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.33
Rot. Bonds6

About 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol

2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol (PubChem CID 61168153) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol
PubChem CID61168153
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol
SMILESCOCc1c(Br)cccc1NCC(O)c1ccco1
InChIInChI=1S/C14H16BrNO3/c1-18-9-10-11(15)4-2-5-12(10)16-8-13(17)14-6-3-7-19-14/h2-7,13,16-17H,8-9H2,1H3
InChIKeyPYZLAVRAZFDLEW-UHFFFAOYSA-N
XLogP3.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
3-bromo-2-(methoxymethyl)-N-(2-phenylpropyl)aniline
CID 63452270
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60897326
2-(4-chloro-2,5-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60898821
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
CID 61166790

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol (CID 61168153) is 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol is COCc1c(Br)cccc1NCC(O)c1ccco1.
What is the InChIKey of 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol?
The InChIKey is PYZLAVRAZFDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-18-9-10-11(15)4-2-5-12(10)16-8-13(17)14-6-3-7-19-14/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol?
2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol has a molecular weight of 326.19 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 61168153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).