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

C13H19FN2O — CID 113448202

IUPACN'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)8-13(15)10-5-6-17-9-10/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyCYNCXPUTRSJXBW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds4

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

N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 113448202) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID113448202
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)8-13(15)10-5-6-17-9-10/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyCYNCXPUTRSJXBW-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 104744324
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
N'-ethyl-N'-(4-fluorophenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448205
2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
CID 83820646
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 113448202) is N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CN(CC(N)C1CCOC1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is CYNCXPUTRSJXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)8-13(15)10-5-6-17-9-10/h2-4,7,10,13H,5-6,8-9,15H2,1H3.
What are the key properties of N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 113448202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).