N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine

C14H21FN2O — CID 115249625

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
SMILESCN(CCc1ccccc1F)CC1(CN)COC1
InChIInChI=1S/C14H21FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11,16H2,1H3
InChIKeyGBLOKVVHGJLJJI-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.28
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 115249625) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID115249625
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
SMILESCN(CCc1ccccc1F)CC1(CN)COC1
InChIInChI=1S/C14H21FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11,16H2,1H3
InChIKeyGBLOKVVHGJLJJI-UHFFFAOYSA-N
XLogP1.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247697
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 64893644
2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209099

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine (CID 115249625) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine is CN(CCc1ccccc1F)CC1(CN)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is GBLOKVVHGJLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115249625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).