N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine

C13H17F2NO — CID 63360319

IUPACN-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO/c1-9(16-10-4-3-7-17-8-10)13-11(14)5-2-6-12(13)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3
InChIKeyDJOHRBZJIQPVDK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine

N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine (PubChem CID 63360319) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
PubChem CID63360319
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO/c1-9(16-10-4-3-7-17-8-10)13-11(14)5-2-6-12(13)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3
InChIKeyDJOHRBZJIQPVDK-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906872
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
N-[1-(2,6-difluorophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63922629
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073904
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine
CID 63360313

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine (CID 63360319) is N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine is CC(NC1CCCOC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine?
The InChIKey is DJOHRBZJIQPVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(16-10-4-3-7-17-8-10)13-11(14)5-2-6-12(13)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine?
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine has a molecular weight of 241.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 63360319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).