[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine

C12H15F2NO — CID 114933501

IUPAC[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2c(F)cccc2F)CCOC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(7-15)4-5-16-8-12/h1-3H,4-8,15H2
InChIKeyPUBJFUNFMWKFSQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.87
Rot. Bonds3

About [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine

[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 114933501) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
PubChem CID114933501
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2c(F)cccc2F)CCOC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(7-15)4-5-16-8-12/h1-3H,4-8,15H2
InChIKeyPUBJFUNFMWKFSQ-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55111722
3-(bromomethyl)-3-[(2-chloro-3-fluorophenyl)methyl]oxolane
CID 112654905
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 114933662
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62264134
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317
[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 114934841
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methanamine
CID 62263515

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine (CID 114933501) is [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine is NCC1(Cc2c(F)cccc2F)CCOC1.
What is the InChIKey of [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is PUBJFUNFMWKFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(7-15)4-5-16-8-12/h1-3H,4-8,15H2.
What are the key properties of [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine?
[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 227.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 114933501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).