[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine

C13H21NO3 — CID 62445276

IUPAC[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCC1CCCCO1
InChIInChI=1S/C13H21NO3/c1-10-11(6-13(7-14)17-10)8-15-9-12-4-2-3-5-16-12/h6,12H,2-5,7-9,14H2,1H3
InChIKeyQHNLDGQNEFVLSR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.13
Rot. Bonds5

About [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine

[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine (PubChem CID 62445276) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
PubChem CID62445276
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCC1CCCCO1
InChIInChI=1S/C13H21NO3/c1-10-11(6-13(7-14)17-10)8-15-9-12-4-2-3-5-16-12/h6,12H,2-5,7-9,14H2,1H3
InChIKeyQHNLDGQNEFVLSR-UHFFFAOYSA-N
XLogP2.13
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444720
N-[[5-methyl-4-(oxolan-2-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446310
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62443550
[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 62445112
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260036
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine (CID 62445276) is [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine is Cc1oc(CN)cc1COCC1CCCCO1.
What is the InChIKey of [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The InChIKey is QHNLDGQNEFVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-11(6-13(7-14)17-10)8-15-9-12-4-2-3-5-16-12/h6,12H,2-5,7-9,14H2,1H3.
What are the key properties of [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62445276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).