N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine

C15H19F2NO — CID 84589355

IUPACN-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
SMILESFc1ccc(F)c(C(NC2CCOCC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-11-3-4-14(17)13(9-11)15(10-1-2-10)18-12-5-7-19-8-6-12/h3-4,9-10,12,15,18H,1-2,5-8H2
InChIKeySTXREHUARXHKOA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.18
Rot. Bonds4

About N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine

N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine (PubChem CID 84589355) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
PubChem CID84589355
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
SMILESFc1ccc(F)c(C(NC2CCOCC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-11-3-4-14(17)13(9-11)15(10-1-2-10)18-12-5-7-19-8-6-12/h3-4,9-10,12,15,18H,1-2,5-8H2
InChIKeySTXREHUARXHKOA-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
CID 84598890
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
N-[(S)-cyclopropyl-(2,5-difluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97010806

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine?
The IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine (CID 84589355) is N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine is Fc1ccc(F)c(C(NC2CCOCC2)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine?
The InChIKey is STXREHUARXHKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-11-3-4-14(17)13(9-11)15(10-1-2-10)18-12-5-7-19-8-6-12/h3-4,9-10,12,15,18H,1-2,5-8H2.
What are the key properties of N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine?
N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine has a molecular weight of 267.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 84589355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).