(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine

C12H15F2NO — CID 144959237

IUPAC(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine
SMILESCC1CO[C@H](c2cc(F)ccc2F)C(N)C1
InChIInChI=1S/C12H15F2NO/c1-7-4-11(15)12(16-6-7)9-5-8(13)2-3-10(9)14/h2-3,5,7,11-12H,4,6,15H2,1H3/t7?,11?,12-/m1/s1
InChIKeyAXOOXQKILRIBPL-BEUCVMACSA-N
MW227.25 g/mol
LogP2.39
Rot. Bonds1

About (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine

(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine (PubChem CID 144959237) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine
PubChem CID144959237
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine
SMILESCC1CO[C@H](c2cc(F)ccc2F)C(N)C1
InChIInChI=1S/C12H15F2NO/c1-7-4-11(15)12(16-6-7)9-5-8(13)2-3-10(9)14/h2-3,5,7,11-12H,4,6,15H2,1H3/t7?,11?,12-/m1/s1
InChIKeyAXOOXQKILRIBPL-BEUCVMACSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)oxan-3-amine
CID 90127826
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)oxan-3-amine
CID 90127802
2-(2,5-difluorophenyl)oxan-3-amine
CID 79365961
2-(2,5-difluorophenyl)-5-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)oxan-3-amine
CID 123232008
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)oxan-3-amine
CID 90127698
(2R,5R)-2-(2,5-difluorophenyl)-5-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-3-amine
CID 144608129
methyl 2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 90127796
2-(2,5-difluorophenyl)-5-(1-methyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine
CID 123288948
1-[2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-methylpropan-1-one
CID 118351344
(2R)-5-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 144608007
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 90127715
2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 118340964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine (CID 144959237) is (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine is CC1CO[C@H](c2cc(F)ccc2F)C(N)C1.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine?
The InChIKey is AXOOXQKILRIBPL-BEUCVMACSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7-4-11(15)12(16-6-7)9-5-8(13)2-3-10(9)14/h2-3,5,7,11-12H,4,6,15H2,1H3/t7?,11?,12-/m1/s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine?
(2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine has a molecular weight of 227.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)-5-methyloxan-3-amine is sourced from PubChem (CID 144959237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).