2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine

C14H20BrFN2O — CID 79708989

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCN1CCOC(C(N)Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H20BrFN2O/c1-2-18-3-4-19-14(9-18)13(17)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14H,2-4,7,9,17H2,1H3
InChIKeyPWEXQBSGKPELSK-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine (PubChem CID 79708989) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
PubChem CID79708989
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCN1CCOC(C(N)Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H20BrFN2O/c1-2-18-3-4-19-14(9-18)13(17)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14H,2-4,7,9,17H2,1H3
InChIKeyPWEXQBSGKPELSK-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
1-(4-ethylmorpholin-2-yl)-2-(3-fluorophenyl)ethanamine
CID 79666865
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666279
1-(4-ethylmorpholin-2-yl)-2-pyridin-4-ylethanamine
CID 79666705
2-(4-tert-butylphenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665528
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666362
1-(4-ethylmorpholin-2-yl)-2-thiophen-3-ylethanamine
CID 79667283
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
2-(2,5-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79667291
2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666023
1-(4-ethylmorpholin-2-yl)-3-methylbutan-1-amine
CID 79666356
(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethanamine
CID 86587041

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine (CID 79708989) is 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine is CCN1CCOC(C(N)Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine?
The InChIKey is PWEXQBSGKPELSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-2-18-3-4-19-14(9-18)13(17)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14H,2-4,7,9,17H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine has a molecular weight of 331.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79708989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).