1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

C16H25FN2O2 — CID 107701365

IUPAC1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H25FN2O2/c1-3-14(18)9-12-8-13(17)4-5-16(12)21-11-15-10-19(2)6-7-20-15/h4-5,8,14-15H,3,6-7,9-11,18H2,1-2H3
InChIKeyOVWPTUCFGKDNKJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.81
Rot. Bonds6

About 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 107701365) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID107701365
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H25FN2O2/c1-3-14(18)9-12-8-13(17)4-5-16(12)21-11-15-10-19(2)6-7-20-15/h4-5,8,14-15H,3,6-7,9-11,18H2,1-2H3
InChIKeyOVWPTUCFGKDNKJ-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]propan-2-amine
CID 107700818
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79182209
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549
1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (CID 107701365) is 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCC1CN(C)CCO1.
What is the InChIKey of 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is OVWPTUCFGKDNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-14(18)9-12-8-13(17)4-5-16(12)21-11-15-10-19(2)6-7-20-15/h4-5,8,14-15H,3,6-7,9-11,18H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
1-[5-fluoro-2-[(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-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 107701365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).