(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine

C13H20FNO — CID 107718803

IUPAC(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7,9-10H,4,8,15H2,1-3H3/t9?,10-/m0/s1
InChIKeyYCPJAJVMWBYVNY-AXDSSHIGSA-N
MW225.31 g/mol
LogP3.27
Rot. Bonds5

About (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine

(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine (PubChem CID 107718803) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
PubChem CID107718803
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7,9-10H,4,8,15H2,1-3H3/t9?,10-/m0/s1
InChIKeyYCPJAJVMWBYVNY-AXDSSHIGSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine (CID 107718803) is (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine is CCC(C)COc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine?
The InChIKey is YCPJAJVMWBYVNY-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7,9-10H,4,8,15H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 3.27, 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-(2-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 107718803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).