1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine

C16H25FN2O2 — CID 107701557

IUPAC1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-2-15(18)12-13-11-14(17)3-4-16(13)21-10-7-19-5-8-20-9-6-19/h3-4,11,15H,2,5-10,12,18H2,1H3
InChIKeyUGFKMCHZNCBXTM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.82
Rot. Bonds7

About 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine

1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine (PubChem CID 107701557) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
PubChem CID107701557
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-2-15(18)12-13-11-14(17)3-4-16(13)21-10-7-19-5-8-20-9-6-19/h3-4,11,15H,2,5-10,12,18H2,1H3
InChIKeyUGFKMCHZNCBXTM-UHFFFAOYSA-N
XLogP1.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 61392419
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine (CID 107701557) is 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The InChIKey is UGFKMCHZNCBXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-2-15(18)12-13-11-14(17)3-4-16(13)21-10-7-19-5-8-20-9-6-19/h3-4,11,15H,2,5-10,12,18H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 107701557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).