1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

C16H25FN2O2 — CID 107693270

IUPAC1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-3-13(18)8-12-4-5-16(15(17)9-12)21-11-14-10-19(2)6-7-20-14/h4-5,9,13-14H,3,6-8,10-11,18H2,1-2H3
InChIKeyIHESHPHPZVWLSL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.81
Rot. Bonds6

About 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 107693270) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID107693270
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-3-13(18)8-12-4-5-16(15(17)9-12)21-11-14-10-19(2)6-7-20-14/h4-5,9,13-14H,3,6-8,10-11,18H2,1-2H3
InChIKeyIHESHPHPZVWLSL-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79182209
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (CID 107693270) is 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCC2CN(C)CCO2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is IHESHPHPZVWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-13(18)8-12-4-5-16(15(17)9-12)21-11-14-10-19(2)6-7-20-14/h4-5,9,13-14H,3,6-8,10-11,18H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 107693270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).