(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C14H23NO2 — CID 114623491

IUPAC(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1ccoc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23NO2/c1-9-6-7-16-12(9)11(15)10-8-13(2,3)17-14(10,4)5/h6-7,10-11H,8,15H2,1-5H3
InChIKeyZSTHEGKNSRZDIU-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.18
Rot. Bonds2

About (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623491) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623491
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1ccoc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23NO2/c1-9-6-7-16-12(9)11(15)10-8-13(2,3)17-14(10,4)5/h6-7,10-11H,8,15H2,1-5H3
InChIKeyZSTHEGKNSRZDIU-UHFFFAOYSA-N
XLogP3.18
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
CID 130706800
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 79933888
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623491) is (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1ccoc1C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is ZSTHEGKNSRZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-6-7-16-12(9)11(15)10-8-13(2,3)17-14(10,4)5/h6-7,10-11H,8,15H2,1-5H3.
What are the key properties of (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 237.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).