(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine

C7H10BrNO2 — CID 130699456

IUPAC(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cc(Br)co1
InChIInChI=1S/C7H10BrNO2/c1-10-4-6(9)7-2-5(8)3-11-7/h2-3,6H,4,9H2,1H3/t6-/m0/s1
InChIKeyPBQMUFJAKIQINM-LURJTMIESA-N
MW220.07 g/mol
LogP1.69
Rot. Bonds3

About (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine

(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine (PubChem CID 130699456) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine
PubChem CID130699456
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cc(Br)co1
InChIInChI=1S/C7H10BrNO2/c1-10-4-6(9)7-2-5(8)3-11-7/h2-3,6H,4,9H2,1H3/t6-/m0/s1
InChIKeyPBQMUFJAKIQINM-LURJTMIESA-N
XLogP1.69
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine
CID 130713681
2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
3-[(1S)-1-amino-2-methoxyethyl]-5-bromobenzonitrile
CID 131081660
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine (CID 130699456) is (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine is COC[C@H](N)c1cc(Br)co1.
What is the InChIKey of (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine?
The InChIKey is PBQMUFJAKIQINM-LURJTMIESA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-10-4-6(9)7-2-5(8)3-11-7/h2-3,6H,4,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine?
(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine has a molecular weight of 220.07 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine is sourced from PubChem (CID 130699456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).