1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine

C14H19F2NO — CID 54906872

IUPAC1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-10(14-12(15)5-2-6-13(14)16)17-8-11-4-3-7-18-9-11/h2,5-6,10-11,17H,3-4,7-9H2,1H3
InChIKeyGFWFKLFUESBQAV-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine

1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 54906872) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID54906872
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-10(14-12(15)5-2-6-13(14)16)17-8-11-4-3-7-18-9-11/h2,5-6,10-11,17H,3-4,7-9H2,1H3
InChIKeyGFWFKLFUESBQAV-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
1-(2,6-difluorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 75441562
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
2-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine (CID 54906872) is 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine is CC(NCC1CCCOC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is GFWFKLFUESBQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(14-12(15)5-2-6-13(14)16)17-8-11-4-3-7-18-9-11/h2,5-6,10-11,17H,3-4,7-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine?
1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 54906872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).