N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

C16H25FN2O — CID 104745096

IUPACN-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)Cc1ccccc1F)C1CCOC1
InChIInChI=1S/C16H25FN2O/c1-3-18-16(14-8-9-20-12-14)11-19(2)10-13-6-4-5-7-15(13)17/h4-7,14,16,18H,3,8-12H2,1-2H3
InChIKeyHTUINIRDVSMUDW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.27
Rot. Bonds7

About N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745096) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745096
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)Cc1ccccc1F)C1CCOC1
InChIInChI=1S/C16H25FN2O/c1-3-18-16(14-8-9-20-12-14)11-19(2)10-13-6-4-5-7-15(13)17/h4-7,14,16,18H,3,8-12H2,1-2H3
InChIKeyHTUINIRDVSMUDW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745096) is N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(C)Cc1ccccc1F)C1CCOC1.
What is the InChIKey of N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is HTUINIRDVSMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-16(14-8-9-20-12-14)11-19(2)10-13-6-4-5-7-15(13)17/h4-7,14,16,18H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).