2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine

C14H16BrNO3 — CID 104708522

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2ccco2)c(Br)c1
InChIInChI=1S/C14H16BrNO3/c1-17-11-4-5-14(13(15)9-11)19-8-6-16-10-12-3-2-7-18-12/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyDFTZIXVIXAHRTB-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.22
Rot. Bonds7

About 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine

2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 104708522) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
PubChem CID104708522
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2ccco2)c(Br)c1
InChIInChI=1S/C14H16BrNO3/c1-17-11-4-5-14(13(15)9-11)19-8-6-16-10-12-3-2-7-18-12/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyDFTZIXVIXAHRTB-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline
CID 104708538

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine (CID 104708522) is 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine is COc1ccc(OCCNCc2ccco2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is DFTZIXVIXAHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-17-11-4-5-14(13(15)9-11)19-8-6-16-10-12-3-2-7-18-12/h2-5,7,9,16H,6,8,10H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine?
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 326.19 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 104708522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).