N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine

C14H15F2NO — CID 106888969

IUPACN-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-3-17-8-14-10(4-5-18-14)11-6-9(2)12(15)7-13(11)16/h4-7,17H,3,8H2,1-2H3
InChIKeyYGLKAJCUCYFKSO-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.64
Rot. Bonds4

About N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine

N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106888969) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106888969
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-3-17-8-14-10(4-5-18-14)11-6-9(2)12(15)7-13(11)16/h4-7,17H,3,8H2,1-2H3
InChIKeyYGLKAJCUCYFKSO-UHFFFAOYSA-N
XLogP3.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine (CID 106888969) is N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1cc(C)c(F)cc1F.
What is the InChIKey of N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is YGLKAJCUCYFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-3-17-8-14-10(4-5-18-14)11-6-9(2)12(15)7-13(11)16/h4-7,17H,3,8H2,1-2H3.
What are the key properties of N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine?
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).