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

C16H25FN2O2 — CID 104794095

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCOc1cccc(CC(N)C(C)(C)N2CCOCC2)c1F
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)14(18)11-12-5-4-6-13(20-3)15(12)17/h4-6,14H,7-11,18H2,1-3H3
InChIKeyYBWCCVBEHDPWCJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.81
Rot. Bonds5

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

1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 104794095) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID104794095
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCOc1cccc(CC(N)C(C)(C)N2CCOCC2)c1F
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)14(18)11-12-5-4-6-13(20-3)15(12)17/h4-6,14H,7-11,18H2,1-3H3
InChIKeyYBWCCVBEHDPWCJ-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-piperidin-1-ylbutan-2-amine
CID 104794094
1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051899
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
3-(azepan-1-yl)-1-(2,3-difluorophenyl)-3-methylbutan-2-amine
CID 79050926
1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 106267860
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
3-(azepan-1-yl)-1-(2,5-difluorophenyl)-3-methylbutan-2-amine
CID 79051217
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 104794095) is 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is COc1cccc(CC(N)C(C)(C)N2CCOCC2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is YBWCCVBEHDPWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)14(18)11-12-5-4-6-13(20-3)15(12)17/h4-6,14H,7-11,18H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 104794095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).