N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine

C15H19FN2O — CID 82747867

IUPACN-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(F)c(C#CCN)c1)C1CCOC1
InChIInChI=1S/C15H19FN2O/c1-18(14-6-8-19-11-14)10-12-4-5-15(16)13(9-12)3-2-7-17/h4-5,9,14H,6-8,10-11,17H2,1H3
InChIKeyXXMQHHMJAAWJKA-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.36
Rot. Bonds3

About N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine

N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine (PubChem CID 82747867) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
PubChem CID82747867
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(F)c(C#CCN)c1)C1CCOC1
InChIInChI=1S/C15H19FN2O/c1-18(14-6-8-19-11-14)10-12-4-5-15(16)13(9-12)3-2-7-17/h4-5,9,14H,6-8,10-11,17H2,1H3
InChIKeyXXMQHHMJAAWJKA-UHFFFAOYSA-N
XLogP1.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968872
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
3-[2-fluoro-5-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 63557876
3-[2-fluoro-5-[[methyl(propyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969274
3-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]propanenitrile
CID 54968865
4-(3-aminoprop-1-ynyl)-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82729748
5-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]pentan-1-ol
CID 107203671
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
1-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(oxolan-3-yl)urea
CID 104781003
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
4-fluoro-3-[[methyl(oxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 82738639
2-fluoro-5-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 114012202

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine (CID 82747867) is N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine is CN(Cc1ccc(F)c(C#CCN)c1)C1CCOC1.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is XXMQHHMJAAWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18(14-6-8-19-11-14)10-12-4-5-15(16)13(9-12)3-2-7-17/h4-5,9,14H,6-8,10-11,17H2,1H3.
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 262.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82747867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).