3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine

C13H19FN2O — CID 63335335

IUPAC3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1F)C1(CN)CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(13(9-15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyAYXMWMLAKNRTOT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.38
Rot. Bonds4

About 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine

3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine (PubChem CID 63335335) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
PubChem CID63335335
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1F)C1(CN)CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(13(9-15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyAYXMWMLAKNRTOT-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 64893644
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
CID 63335610
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340
3-(aminomethyl)-N-ethyl-N-(3-fluorophenyl)oxolan-3-amine
CID 63335502
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
CID 63335056
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
CID 115249625

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine (CID 63335335) is 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine is CN(Cc1ccccc1F)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is AYXMWMLAKNRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(13(9-15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine?
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 63335335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).