1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C15H21F2NO — CID 65154515

IUPAC1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21F2NO/c1-8-9(2)19-10(3)14(8)15(18-4)12-7-11(16)5-6-13(12)17/h5-10,14-15,18H,1-4H3
InChIKeyGGPUUYDILCWCJR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65154515) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65154515
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21F2NO/c1-8-9(2)19-10(3)14(8)15(18-4)12-7-11(16)5-6-13(12)17/h5-10,14-15,18H,1-4H3
InChIKeyGGPUUYDILCWCJR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156425
1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115800984
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115852535
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764578
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105013524

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65154515) is 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is GGPUUYDILCWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-8-9(2)19-10(3)14(8)15(18-4)12-7-11(16)5-6-13(12)17/h5-10,14-15,18H,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65154515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).