(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine

C13H20FNO — CID 107891175

IUPAC(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)16-11-6-7-12(10(3)15)13(14)8-11/h6-10H,4-5,15H2,1-3H3/t9?,10-/m0/s1
InChIKeyIGFOYZHMVMTVNK-AXDSSHIGSA-N
MW225.31 g/mol
LogP3.41
Rot. Bonds5

About (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine

(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine (PubChem CID 107891175) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
PubChem CID107891175
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)16-11-6-7-12(10(3)15)13(14)8-11/h6-10H,4-5,15H2,1-3H3/t9?,10-/m0/s1
InChIKeyIGFOYZHMVMTVNK-AXDSSHIGSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
trifluoro-(2-fluoro-4-pentan-2-yloxyphenyl)boranuide
CID 107896223
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine (CID 107891175) is (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine is CCCC(C)Oc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine?
The InChIKey is IGFOYZHMVMTVNK-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-5-9(2)16-11-6-7-12(10(3)15)13(14)8-11/h6-10H,4-5,15H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine?
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine has a molecular weight of 225.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107891175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).