1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

C16H25FN2O2 — CID 79051899

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCOc1ccc(CC(N)C(C)(C)N2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-6-8-21-9-7-19)15(18)11-12-4-5-14(20-3)13(17)10-12/h4-5,10,15H,6-9,11,18H2,1-3H3
InChIKeyFLOBRZMQMQFFNK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.81
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79051899) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79051899
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCOc1ccc(CC(N)C(C)(C)N2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-6-8-21-9-7-19)15(18)11-12-4-5-14(20-3)13(17)10-12/h4-5,10,15H,6-9,11,18H2,1-3H3
InChIKeyFLOBRZMQMQFFNK-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 104794095
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(1,4-dioxan-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65351095
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104794094
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 79051899) is 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is COc1ccc(CC(N)C(C)(C)N2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is FLOBRZMQMQFFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-16(2,19-6-8-21-9-7-19)15(18)11-12-4-5-14(20-3)13(17)10-12/h4-5,10,15H,6-9,11,18H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79051899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).