1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

C14H20BrFN2O — CID 103901638

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-10(13-4-3-11(16)7-14(13)15)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3
InChIKeyOJKWOWPVEVLPLG-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 103901638) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID103901638
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-10(13-4-3-11(16)7-14(13)15)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3
InChIKeyOJKWOWPVEVLPLG-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
1-(2-bromo-4-fluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 113260327
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
1-(2,4-dichloro-5-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083307
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (CID 103901638) is 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is CC(NCC1CN(C)CCO1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is OJKWOWPVEVLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-10(13-4-3-11(16)7-14(13)15)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 331.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103901638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).