2-(3-fluoro-2-pentoxyphenyl)ethanamine

C13H20FNO — CID 112615154

IUPAC2-(3-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1c(F)cccc1CCN
InChIInChI=1S/C13H20FNO/c1-2-3-4-10-16-13-11(8-9-15)6-5-7-12(13)14/h5-7H,2-4,8-10,15H2,1H3
InChIKeyJJTQQOHADYHHQR-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds7

About 2-(3-fluoro-2-pentoxyphenyl)ethanamine

2-(3-fluoro-2-pentoxyphenyl)ethanamine (PubChem CID 112615154) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(3-fluoro-2-pentoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-2-pentoxyphenyl)ethanamine
PubChem CID112615154
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(3-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1c(F)cccc1CCN
InChIInChI=1S/C13H20FNO/c1-2-3-4-10-16-13-11(8-9-15)6-5-7-12(13)14/h5-7H,2-4,8-10,15H2,1H3
InChIKeyJJTQQOHADYHHQR-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
3-fluoro-2-hexoxyaniline
CID 104831272
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pentoxyphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-2-pentoxyphenyl)ethanamine (CID 112615154) is 2-(3-fluoro-2-pentoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-2-pentoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-2-pentoxyphenyl)ethanamine is CCCCCOc1c(F)cccc1CCN.
What is the InChIKey of 2-(3-fluoro-2-pentoxyphenyl)ethanamine?
The InChIKey is JJTQQOHADYHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-3-4-10-16-13-11(8-9-15)6-5-7-12(13)14/h5-7H,2-4,8-10,15H2,1H3.
What are the key properties of 2-(3-fluoro-2-pentoxyphenyl)ethanamine?
2-(3-fluoro-2-pentoxyphenyl)ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pentoxyphenyl)ethanamine is sourced from PubChem (CID 112615154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).