N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine

C14H15F2NO2 — CID 62449654

IUPACN-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2/c1-2-17-8-10-5-6-18-14(10)9-19-13-4-3-11(15)7-12(13)16/h3-7,17H,2,8-9H2,1H3
InChIKeyVKWWQZQZWHKAMW-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.25
Rot. Bonds6

About N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62449654) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62449654
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC NameN-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2/c1-2-17-8-10-5-6-18-14(10)9-19-13-4-3-11(15)7-12(13)16/h3-7,17H,2,8-9H2,1H3
InChIKeyVKWWQZQZWHKAMW-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 76943591
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62460294
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62449654) is N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COc1ccc(F)cc1F.
What is the InChIKey of N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is VKWWQZQZWHKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-2-17-8-10-5-6-18-14(10)9-19-13-4-3-11(15)7-12(13)16/h3-7,17H,2,8-9H2,1H3.
What are the key properties of N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 267.27 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62449654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).