1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine

C12H19BrN2O2 — CID 106889425

IUPAC1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
SMILESCCN1CCOC(CNC)C1c1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-3-15-5-7-16-10(8-14-2)11(15)12-9(13)4-6-17-12/h4,6,10-11,14H,3,5,7-8H2,1-2H3
InChIKeyQXKQWHUCRGFKQG-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.02
Rot. Bonds4

About 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine

1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine (PubChem CID 106889425) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
PubChem CID106889425
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
SMILESCCN1CCOC(CNC)C1c1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-3-15-5-7-16-10(8-14-2)11(15)12-9(13)4-6-17-12/h4,6,10-11,14H,3,5,7-8H2,1-2H3
InChIKeyQXKQWHUCRGFKQG-UHFFFAOYSA-N
XLogP2.02
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106889429
1-[4-ethyl-3-(4-methyl-1,3-thiazol-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 113451491
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
CID 128977205
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
1-[4-cyclopropyl-3-(2-ethylpyrazol-3-yl)morpholin-2-yl]-N-methylmethanamine
CID 114557732
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
CID 106889460
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
1-[2-(4-bromo-2-nitrophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114385767
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine (CID 106889425) is 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine is CCN1CCOC(CNC)C1c1occc1Br.
What is the InChIKey of 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine?
The InChIKey is QXKQWHUCRGFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-15-5-7-16-10(8-14-2)11(15)12-9(13)4-6-17-12/h4,6,10-11,14H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine?
1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine has a molecular weight of 303.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106889425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).