2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine

C15H22FNO — CID 105050938

IUPAC2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)C1CCOC1C
InChIInChI=1S/C15H22FNO/c1-10-8-13(16)5-4-12(10)9-15(17-3)14-6-7-18-11(14)2/h4-5,8,11,14-15,17H,6-7,9H2,1-3H3
InChIKeyMXQZFHXVPWFXED-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 105050938) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID105050938
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)C1CCOC1C
InChIInChI=1S/C15H22FNO/c1-10-8-13(16)5-4-12(10)9-15(17-3)14-6-7-18-11(14)2/h4-5,8,11,14-15,17H,6-7,9H2,1-3H3
InChIKeyMXQZFHXVPWFXED-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115793579
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine (CID 105050938) is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine is CNC(Cc1ccc(F)cc1C)C1CCOC1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is MXQZFHXVPWFXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-8-13(16)5-4-12(10)9-15(17-3)14-6-7-18-11(14)2/h4-5,8,11,14-15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105050938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).