N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine

C11H16Br2N2O2 — CID 79083326

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C11H16Br2N2O2/c1-15-2-3-16-9(7-15)6-14-5-8-4-10(12)11(13)17-8/h4,9,14H,2-3,5-7H2,1H3
InChIKeyQSDNNIGECHDBNC-UHFFFAOYSA-N
MW368.07 g/mol
LogP2.22
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine

N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79083326) has the molecular formula C11H16Br2N2O2 and a molecular weight of 368.07 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79083326
Molecular FormulaC11H16Br2N2O2
Molecular Weight368.07 g/mol
Exact Mass365.96
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C11H16Br2N2O2/c1-15-2-3-16-9(7-15)6-14-5-8-4-10(12)11(13)17-8/h4,9,14H,2-3,5-7H2,1H3
InChIKeyQSDNNIGECHDBNC-UHFFFAOYSA-N
XLogP2.22
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95757956
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine (CID 79083326) is N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine is CN1CCOC(CNCc2cc(Br)c(Br)o2)C1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is QSDNNIGECHDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2/c1-15-2-3-16-9(7-15)6-14-5-8-4-10(12)11(13)17-8/h4,9,14H,2-3,5-7H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 368.07 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79083326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).