N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine

C16H25FN2O — CID 66259151

IUPACN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-18-16-11-20-10-13(16)9-19(3)12(2)14-7-5-6-8-15(14)17/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyZZVPMFLMLDDYKG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.44
Rot. Bonds6

About N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine

N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine (PubChem CID 66259151) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
PubChem CID66259151
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-18-16-11-20-10-13(16)9-19(3)12(2)14-7-5-6-8-15(14)17/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyZZVPMFLMLDDYKG-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
CID 66259900
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
CID 66244987
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
CID 66263079
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 66259139
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551
N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66259533
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine (CID 66259151) is N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine is CCNC1COCC1CN(C)C(C)c1ccccc1F.
What is the InChIKey of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine?
The InChIKey is ZZVPMFLMLDDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-18-16-11-20-10-13(16)9-19(3)12(2)14-7-5-6-8-15(14)17/h5-8,12-13,16,18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine?
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine has a molecular weight of 280.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66259151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).