1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

C16H25FN2O2 — CID 82771720

IUPAC1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1cc(F)ccc1OC)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)15(18-3)13-11-12(17)5-6-14(13)20-4/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyBDEMRJFINSFWTK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 82771720) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
PubChem CID82771720
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1cc(F)ccc1OC)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)15(18-3)13-11-12(17)5-6-14(13)20-4/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyBDEMRJFINSFWTK-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
1-(2-ethoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051912
1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954012
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788
[1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 105240053
1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051899
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (CID 82771720) is 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is CNC(c1cc(F)ccc1OC)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is BDEMRJFINSFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-16(2,19-7-9-21-10-8-19)15(18-3)13-11-12(17)5-6-14(13)20-4/h5-6,11,15,18H,7-10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 82771720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).