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

C15H23FN2O — CID 78946838

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCN1CCOC(CNC(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-7-8-19-15(11-18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyNEUKAHGFVYHHTN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds5

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

N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 78946838) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID78946838
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCN1CCOC(CNC(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-7-8-19-15(11-18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyNEUKAHGFVYHHTN-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115899774
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113353975
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 114399605
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 78946838) is N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is CCN1CCOC(CNC(C)c2cccc(F)c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is NEUKAHGFVYHHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18-7-8-19-15(11-18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 78946838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).