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

C15H23FN2O — CID 107719023

IUPAC(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCN2CCCCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-12(17)14-6-5-13(11-15(14)16)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m0/s1
InChIKeyJWQPDNUIEOSIFT-LBPRGKRZSA-N
MW266.36 g/mol
LogP2.71
Rot. Bonds5

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

(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 107719023) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
PubChem CID107719023
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCN2CCCCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-12(17)14-6-5-13(11-15(14)16)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m0/s1
InChIKeyJWQPDNUIEOSIFT-LBPRGKRZSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine (CID 107719023) is (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(OCCN2CCCCC2)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is JWQPDNUIEOSIFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(17)14-6-5-13(11-15(14)16)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 107719023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).