[5-(aminomethyl)-2-methylfuran-3-yl]methanol

C7H11NO2 — CID 82502468

IUPAC[5-(aminomethyl)-2-methylfuran-3-yl]methanol
SMILESCc1oc(CN)cc1CO
InChIInChI=1S/C7H11NO2/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,3-4,8H2,1H3
InChIKeyIQUSVORWBOLKCB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.54
Rot. Bonds2

About [5-(aminomethyl)-2-methylfuran-3-yl]methanol

[5-(aminomethyl)-2-methylfuran-3-yl]methanol (PubChem CID 82502468) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylfuran-3-yl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylfuran-3-yl]methanol
PubChem CID82502468
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[5-(aminomethyl)-2-methylfuran-3-yl]methanol
SMILESCc1oc(CN)cc1CO
InChIInChI=1S/C7H11NO2/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,3-4,8H2,1H3
InChIKeyIQUSVORWBOLKCB-UHFFFAOYSA-N
XLogP0.54
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)methanol
CID 10396847
(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126
(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
CID 142883277
N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997752
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
CID 76943700
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419449
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine
CID 62441968
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
CID 55072164

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylfuran-3-yl]methanol?
The IUPAC name of [5-(aminomethyl)-2-methylfuran-3-yl]methanol (CID 82502468) is [5-(aminomethyl)-2-methylfuran-3-yl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-methylfuran-3-yl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-methylfuran-3-yl]methanol is Cc1oc(CN)cc1CO.
What is the InChIKey of [5-(aminomethyl)-2-methylfuran-3-yl]methanol?
The InChIKey is IQUSVORWBOLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,3-4,8H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methylfuran-3-yl]methanol?
[5-(aminomethyl)-2-methylfuran-3-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methylfuran-3-yl]methanol is sourced from PubChem (CID 82502468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).