N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine

C15H21F2NO2 — CID 103133316

IUPACN-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCC2CCC(C)O2)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-3-18-8-11-6-13(16)15(14(17)7-11)19-9-12-5-4-10(2)20-12/h6-7,10,12,18H,3-5,8-9H2,1-2H3
InChIKeyWENKFSHCURMDPR-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.02
Rot. Bonds6

About N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 103133316) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID103133316
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCC2CCC(C)O2)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-3-18-8-11-6-13(16)15(14(17)7-11)19-9-12-5-4-10(2)20-12/h6-7,10,12,18H,3-5,8-9H2,1-2H3
InChIKeyWENKFSHCURMDPR-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-5-methyloxolane
CID 103135410
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 79892393
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine (CID 103133316) is N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(F)c(OCC2CCC(C)O2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is WENKFSHCURMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-18-8-11-6-13(16)15(14(17)7-11)19-9-12-5-4-10(2)20-12/h6-7,10,12,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 103133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).