2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine

C15H22FNO — CID 114242009

IUPAC2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCOCC1C
InChIInChI=1S/C15H22FNO/c1-10-3-4-13(16)7-12(10)8-15(17)14-5-6-18-9-11(14)2/h3-4,7,11,14-15H,5-6,8-9,17H2,1-2H3
InChIKeyAFZJVOVNKVXTKP-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.68
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine (PubChem CID 114242009) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
PubChem CID114242009
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCOCC1C
InChIInChI=1S/C15H22FNO/c1-10-3-4-13(16)7-12(10)8-15(17)14-5-6-18-9-11(14)2/h3-4,7,11,14-15H,5-6,8-9,17H2,1-2H3
InChIKeyAFZJVOVNKVXTKP-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
[2-(5-fluoro-2-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105377822
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine (CID 114242009) is 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine is Cc1ccc(F)cc1CC(N)C1CCOCC1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine?
The InChIKey is AFZJVOVNKVXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-3-4-13(16)7-12(10)8-15(17)14-5-6-18-9-11(14)2/h3-4,7,11,14-15H,5-6,8-9,17H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine is sourced from PubChem (CID 114242009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).