1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

C14H20FNO3 — CID 62866756

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1F)C1CCOC1
InChIInChI=1S/C14H20FNO3/c1-16-14(9-4-5-19-8-9)10-6-12(17-2)13(18-3)7-11(10)15/h6-7,9,14,16H,4-5,8H2,1-3H3
InChIKeyXSVMVZHGLMOHEG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 62866756) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID62866756
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1F)C1CCOC1
InChIInChI=1S/C14H20FNO3/c1-16-14(9-4-5-19-8-9)10-6-12(17-2)13(18-3)7-11(10)15/h6-7,9,14,16H,4-5,8H2,1-3H3
InChIKeyXSVMVZHGLMOHEG-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]oxane
CID 63014038
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 82807411
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]oxolane
CID 61278720
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 62866756) is 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1cc(OC)c(OC)cc1F)C1CCOC1.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is XSVMVZHGLMOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16-14(9-4-5-19-8-9)10-6-12(17-2)13(18-3)7-11(10)15/h6-7,9,14,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 62866756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).