[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

C13H20FNO2 — CID 112607929

IUPAC[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCC(C)(C)OCCOc1c(F)cccc1CN
InChIInChI=1S/C13H20FNO2/c1-13(2,3)17-8-7-16-12-10(9-15)5-4-6-11(12)14/h4-6H,7-9,15H2,1-3H3
InChIKeySUGICSVZUGBVCM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.48
Rot. Bonds5

About [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (PubChem CID 112607929) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
PubChem CID112607929
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCC(C)(C)OCCOc1c(F)cccc1CN
InChIInChI=1S/C13H20FNO2/c1-13(2,3)17-8-7-16-12-10(9-15)5-4-6-11(12)14/h4-6H,7-9,15H2,1-3H3
InChIKeySUGICSVZUGBVCM-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115953414
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615174
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 112613725
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (CID 112607929) is [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is CC(C)(C)OCCOc1c(F)cccc1CN.
What is the InChIKey of [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The InChIKey is SUGICSVZUGBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,3)17-8-7-16-12-10(9-15)5-4-6-11(12)14/h4-6H,7-9,15H2,1-3H3.
What are the key properties of [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine has a molecular weight of 241.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 112607929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).