N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine

C14H19F2NO2 — CID 79892393

IUPACN-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OC2CCOCC2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-2-17-9-10-7-12(15)14(13(16)8-10)19-11-3-5-18-6-4-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyMAMMCAMTQGRMOM-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.63
Rot. Bonds5

About N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine (PubChem CID 79892393) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
PubChem CID79892393
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OC2CCOCC2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-2-17-9-10-7-12(15)14(13(16)8-10)19-11-3-5-18-6-4-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyMAMMCAMTQGRMOM-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
CID 79882223
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
CID 79892159
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103133316
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
4-(2,6-difluoro-4-isocyanatophenoxy)oxane
CID 169354891
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine (CID 79892393) is N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine is CCNCc1cc(F)c(OC2CCOCC2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The InChIKey is MAMMCAMTQGRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-17-9-10-7-12(15)14(13(16)8-10)19-11-3-5-18-6-4-11/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine has a molecular weight of 271.31 g/mol, XLogP of 2.63, 5 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-(oxan-4-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 79892393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).