1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine

C10H17BrN2O2 — CID 106885640

IUPAC1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1occc1Br
InChIInChI=1S/C10H17BrN2O2/c1-13(4-6-14-2)9(7-12)10-8(11)3-5-15-10/h3,5,9H,4,6-7,12H2,1-2H3
InChIKeyGNCDZLKKZJGLSS-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.62
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine (PubChem CID 106885640) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
PubChem CID106885640
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1occc1Br
InChIInChI=1S/C10H17BrN2O2/c1-13(4-6-14-2)9(7-12)10-8(11)3-5-15-10/h3,5,9H,4,6-7,12H2,1-2H3
InChIKeyGNCDZLKKZJGLSS-UHFFFAOYSA-N
XLogP1.62
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106885671
1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106885623
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 66158412
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 106885592
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 61427131
1-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 105404971
1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62085222

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine (CID 106885640) is 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine is COCCN(C)C(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine?
The InChIKey is GNCDZLKKZJGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-13(4-6-14-2)9(7-12)10-8(11)3-5-15-10/h3,5,9H,4,6-7,12H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine has a molecular weight of 277.16 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 106885640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).