(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine

C9H12BrNO2 — CID 106857614

IUPAC(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccoc1Br)C1CCOC1
InChIInChI=1S/C9H12BrNO2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8H,1,3,5,11H2
InChIKeyYZNWHUUHXNMARF-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.08
Rot. Bonds2

About (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine

(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine (PubChem CID 106857614) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
PubChem CID106857614
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccoc1Br)C1CCOC1
InChIInChI=1S/C9H12BrNO2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8H,1,3,5,11H2
InChIKeyYZNWHUUHXNMARF-UHFFFAOYSA-N
XLogP2.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
CID 106859167
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
CID 113483617
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
CID 79597275
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
CID 107138851
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine (CID 106857614) is (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine is NC(c1ccoc1Br)C1CCOC1.
What is the InChIKey of (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine?
The InChIKey is YZNWHUUHXNMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8H,1,3,5,11H2.
What are the key properties of (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine?
(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine has a molecular weight of 246.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106857614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).