N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine

C15H22FNO — CID 115786402

IUPACN-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1OCCC1C
InChIInChI=1S/C15H22FNO/c1-3-17-14(15-11(2)8-9-18-15)10-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyMVZSXODPUAKWFV-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine

N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 115786402) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID115786402
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1OCCC1C
InChIInChI=1S/C15H22FNO/c1-3-17-14(15-11(2)8-9-18-15)10-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyMVZSXODPUAKWFV-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
N-ethyl-1-(3-methyloxolan-2-yl)-2-naphthalen-1-ylethanamine
CID 115838617
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553
2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115795640
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine (CID 115786402) is N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine is CCNC(Cc1ccc(F)cc1)C1OCCC1C.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is MVZSXODPUAKWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-14(15-11(2)8-9-18-15)10-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115786402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).