(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine

C12H19NO2 — CID 131503128

IUPAC(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
SMILESCc1cc([C@@H](N)C2CCOCC2)oc1C
InChIInChI=1S/C12H19NO2/c1-8-7-11(15-9(8)2)12(13)10-3-5-14-6-4-10/h7,10,12H,3-6,13H2,1-2H3/t12-/m0/s1
InChIKeyVCKNDFSIADNATR-LBPRGKRZSA-N
MW209.29 g/mol
LogP2.32
Rot. Bonds2

About (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine

(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine (PubChem CID 131503128) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
PubChem CID131503128
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
SMILESCc1cc([C@@H](N)C2CCOCC2)oc1C
InChIInChI=1S/C12H19NO2/c1-8-7-11(15-9(8)2)12(13)10-3-5-14-6-4-10/h7,10,12H,3-6,13H2,1-2H3/t12-/m0/s1
InChIKeyVCKNDFSIADNATR-LBPRGKRZSA-N
XLogP2.32
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
CID 130707882
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 94891967
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198

Frequently Asked Questions

What is the IUPAC name of (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine (CID 131503128) is (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine is Cc1cc([C@@H](N)C2CCOCC2)oc1C.
What is the InChIKey of (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is VCKNDFSIADNATR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-7-11(15-9(8)2)12(13)10-3-5-14-6-4-10/h7,10,12H,3-6,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine?
(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131503128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).