(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine

C12H19NO2 — CID 94891967

IUPAC(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
SMILESCCc1ccc([C@@H](N)C2CCOCC2)o1
InChIInChI=1S/C12H19NO2/c1-2-10-3-4-11(15-10)12(13)9-5-7-14-8-6-9/h3-4,9,12H,2,5-8,13H2,1H3/t12-/m0/s1
InChIKeySPOCIDCEFGEMJV-LBPRGKRZSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds3

About (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine

(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine (PubChem CID 94891967) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
PubChem CID94891967
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
SMILESCCc1ccc([C@@H](N)C2CCOCC2)o1
InChIInChI=1S/C12H19NO2/c1-2-10-3-4-11(15-10)12(13)9-5-7-14-8-6-9/h3-4,9,12H,2,5-8,13H2,1H3/t12-/m0/s1
InChIKeySPOCIDCEFGEMJV-LBPRGKRZSA-N
XLogP2.27
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
CID 131528338
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
1,4-dioxan-2-yl-(5-ethylfuran-2-yl)methanamine
CID 62804530
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
CID 131293376
(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 131503128
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(5-tert-butylfuran-2-yl)-cyclopropylmethanamine
CID 165354721
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(4-cyclohexylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79094080
2-(5-ethylfuran-2-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494690
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368

Frequently Asked Questions

What is the IUPAC name of (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine (CID 94891967) is (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine is CCc1ccc([C@@H](N)C2CCOCC2)o1.
What is the InChIKey of (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is SPOCIDCEFGEMJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-10-3-4-11(15-10)12(13)9-5-7-14-8-6-9/h3-4,9,12H,2,5-8,13H2,1H3/t12-/m0/s1.
What are the key properties of (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine?
(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 94891967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).