1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine

C12H19NO2 — CID 105029349

IUPAC1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1ccco1
InChIInChI=1S/C12H19NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h2,4,8,10-11H,1,3,5-7,9,13H2
InChIKeyXRANYYZFTBMOKV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds5

About 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine

1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105029349) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID105029349
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1ccco1
InChIInChI=1S/C12H19NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h2,4,8,10-11H,1,3,5-7,9,13H2
InChIKeyXRANYYZFTBMOKV-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
CID 116661250
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
2-[(2R)-oxolan-2-yl]ethyl 2-(furan-2-yl)acetate
CID 97078806
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 115847784

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine (CID 105029349) is 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine is NC(CCC1CCCO1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is XRANYYZFTBMOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h2,4,8,10-11H,1,3,5-7,9,13H2.
What are the key properties of 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine?
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105029349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).