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

C15H23FN2O — CID 81347515

IUPAC(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCN1CCOC(CN[C@@H](C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-9-19-15(11-18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3/t12-,15?/m0/s1
InChIKeySLRXYEDUQIFFMQ-SFVWDYPZSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds5

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

(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347515) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347515
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCN1CCOC(CN[C@@H](C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-9-19-15(11-18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3/t12-,15?/m0/s1
InChIKeySLRXYEDUQIFFMQ-SFVWDYPZSA-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

4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113353975
1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115899774
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 113353970
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 114399605
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
CID 104583926
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 78997863

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81347515) is (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine is CCN1CCOC(CN[C@@H](C)c2ccc(F)cc2)C1.
What is the InChIKey of (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is SLRXYEDUQIFFMQ-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18-8-9-19-15(11-18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-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 (1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).