N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine

C13H19FN2O — CID 107878596

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(F)c(CN)c1)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-5-17-9-12)8-10-2-3-13(14)11(6-10)7-15/h2-3,6,12H,4-5,7-9,15H2,1H3
InChIKeyGBQPQQXRHRBTLS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds4

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine (PubChem CID 107878596) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
PubChem CID107878596
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(F)c(CN)c1)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-5-17-9-12)8-10-2-3-13(14)11(6-10)7-15/h2-3,6,12H,4-5,7-9,15H2,1H3
InChIKeyGBQPQQXRHRBTLS-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 82747867
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537
4-fluoro-3-[[methyl(oxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 82738639
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
2-fluoro-5-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 114012202
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82732204

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine (CID 107878596) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine is CN(Cc1ccc(F)c(CN)c1)C1CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is GBQPQQXRHRBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-4-5-17-9-12)8-10-2-3-13(14)11(6-10)7-15/h2-3,6,12H,4-5,7-9,15H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 107878596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).