N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

C16H25FN2O2 — CID 115899761

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCOC(CNC(C)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyOAMSBSGGVREEMR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds6

About N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115899761) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115899761
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCOC(CNC(C)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyOAMSBSGGVREEMR-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115899774
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
(4-ethylmorpholin-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 79667211
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 60857448
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113353975
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115899761) is N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is CCN1CCOC(CNC(C)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is OAMSBSGGVREEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 296.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115899761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).