(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine

C12H15F2NO — CID 115859971

IUPAC(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12H,5-6,15H2,1H3
InChIKeySPXUXUCQWUEWFM-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.39
Rot. Bonds2

About (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine

(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 115859971) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID115859971
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12H,5-6,15H2,1H3
InChIKeySPXUXUCQWUEWFM-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
[2-(2-chloro-3-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105332898
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
(1S)-1-[2-fluoro-6-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750531
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine (CID 115859971) is (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine is CC1CCOC1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is SPXUXUCQWUEWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12H,5-6,15H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine?
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115859971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).