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

C14H17NO3 — CID 2299658

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCNCc2ccco2)cc1
InChIInChI=1S/C14H17NO3/c1-16-12-4-6-13(7-5-12)18-10-8-15-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3
InChIKeyYTHQNCVUGYMBHJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.46
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine (PubChem CID 2299658) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
PubChem CID2299658
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCNCc2ccco2)cc1
InChIInChI=1S/C14H17NO3/c1-16-12-4-6-13(7-5-12)18-10-8-15-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3
InChIKeyYTHQNCVUGYMBHJ-UHFFFAOYSA-N
XLogP2.46
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.46
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

2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 6457238
ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
CID 2923338
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N-(furan-2-ylmethyl)-3-(4-nitrophenoxy)propan-1-amine;oxalic acid
CID 2922774
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine (CID 2299658) is N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine is COc1ccc(OCCNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine?
The InChIKey is YTHQNCVUGYMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-12-4-6-13(7-5-12)18-10-8-15-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine?
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine is sourced from PubChem (CID 2299658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).