2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine

C14H16FNO2 — CID 64853522

IUPAC2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESCc1ccc(F)c(OCCNCc2ccco2)c1
InChIInChI=1S/C14H16FNO2/c1-11-4-5-13(15)14(9-11)18-8-6-16-10-12-3-2-7-17-12/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyDCSOEGKCTUOOMV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine

2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 64853522) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
PubChem CID64853522
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESCc1ccc(F)c(OCCNCc2ccco2)c1
InChIInChI=1S/C14H16FNO2/c1-11-4-5-13(15)14(9-11)18-8-6-16-10-12-3-2-7-17-12/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyDCSOEGKCTUOOMV-UHFFFAOYSA-N
XLogP2.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine (CID 64853522) is 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine is Cc1ccc(F)c(OCCNCc2ccco2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is DCSOEGKCTUOOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-11-4-5-13(15)14(9-11)18-8-6-16-10-12-3-2-7-17-12/h2-5,7,9,16H,6,8,10H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 64853522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).