N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine

C20H25FN2O2 — CID 72679887

IUPACN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCC2COCCN2c2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O2/c1-15(16-4-3-5-20(12-16)24-2)22-13-19-14-25-11-10-23(19)18-8-6-17(21)7-9-18/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3
InChIKeyHFGLAZYOORRQAL-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.39
Rot. Bonds6

About N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine

N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 72679887) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID72679887
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCC2COCCN2c2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O2/c1-15(16-4-3-5-20(12-16)24-2)22-13-19-14-25-11-10-23(19)18-8-6-17(21)7-9-18/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3
InChIKeyHFGLAZYOORRQAL-UHFFFAOYSA-N
XLogP3.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 72679887) is N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCC2COCCN2c2ccc(F)cc2)c1.
What is the InChIKey of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is HFGLAZYOORRQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-15(16-4-3-5-20(12-16)24-2)22-13-19-14-25-11-10-23(19)18-8-6-17(21)7-9-18/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3.
What are the key properties of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 344.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 72679887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).