(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine

C10H14BrNO2 — CID 130638115

IUPAC(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1cc(Br)co1
InChIInChI=1S/C10H14BrNO2/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10-/m1/s1
InChIKeyODGJGRCIRSEHRR-GMSGAONNSA-N
MW260.13 g/mol
LogP2.31
Rot. Bonds3

About (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine

(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 130638115) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID130638115
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1cc(Br)co1
InChIInChI=1S/C10H14BrNO2/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10-/m1/s1
InChIKeyODGJGRCIRSEHRR-GMSGAONNSA-N
XLogP2.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyloxolan-3-amine
CID 82725545
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
4-bromo-3-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 115868288
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]oxolan-3-amine
CID 115335826
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 131107703
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine (CID 130638115) is (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1NCc1cc(Br)co1.
What is the InChIKey of (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is ODGJGRCIRSEHRR-GMSGAONNSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10-/m1/s1.
What are the key properties of (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine?
(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 260.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 130638115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).