N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine

C15H22FNO2 — CID 107457989

IUPACN-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)c(COC2COC2)c1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)17-7-11-4-5-14(16)12(6-11)8-19-13-9-18-10-13/h4-6,13,17H,7-10H2,1-3H3
InChIKeyCHYGYKFZZBXPRR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.63
Rot. Bonds5

About N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107457989) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107457989
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)c(COC2COC2)c1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)17-7-11-4-5-14(16)12(6-11)8-19-13-9-18-10-13/h4-6,13,17H,7-10H2,1-3H3
InChIKeyCHYGYKFZZBXPRR-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63556444
2-methyl-N-[[2-methyl-5-(oxetan-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 102608122
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107454016
2-methyl-N-[[3-(oxetan-3-yloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 102608206
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454507
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine (CID 107457989) is N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(F)c(COC2COC2)c1.
What is the InChIKey of N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CHYGYKFZZBXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,3)17-7-11-4-5-14(16)12(6-11)8-19-13-9-18-10-13/h4-6,13,17H,7-10H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107457989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).