2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine

C14H20FNO — CID 105377396

IUPAC2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCCCO1
InChIInChI=1S/C14H20FNO/c1-10-5-6-12(15)8-11(10)9-13(16)14-4-2-3-7-17-14/h5-6,8,13-14H,2-4,7,9,16H2,1H3
InChIKeyIZPRFMUEQAVEAY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.57
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine (PubChem CID 105377396) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
PubChem CID105377396
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCCCO1
InChIInChI=1S/C14H20FNO/c1-10-5-6-12(15)8-11(10)9-13(16)14-4-2-3-7-17-14/h5-6,8,13-14H,2-4,7,9,16H2,1H3
InChIKeyIZPRFMUEQAVEAY-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
CID 115842655
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine (CID 105377396) is 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine is Cc1ccc(F)cc1CC(N)C1CCCCO1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine?
The InChIKey is IZPRFMUEQAVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-12(15)8-11(10)9-13(16)14-4-2-3-7-17-14/h5-6,8,13-14H,2-4,7,9,16H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.57, 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-(oxan-2-yl)ethanamine is sourced from PubChem (CID 105377396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).