(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine

C14H22FNO2 — CID 29003282

IUPAC(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
SMILESCCCCOCCOc1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C14H22FNO2/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3/t11-/m0/s1
InChIKeyUFZJXLAUKDEXNU-NSHDSACASA-N
MW255.33 g/mol
LogP3.04
Rot. Bonds8

About (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine

(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine (PubChem CID 29003282) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
PubChem CID29003282
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
SMILESCCCCOCCOc1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C14H22FNO2/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3/t11-/m0/s1
InChIKeyUFZJXLAUKDEXNU-NSHDSACASA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.04
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

(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
(1S)-1-[5-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 103032866
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine (CID 29003282) is (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine is CCCCOCCOc1ccc(F)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine?
The InChIKey is UFZJXLAUKDEXNU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine?
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 29003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).