[(5-methylfuran-2-yl)methylamino]methanol

C7H11NO2 — CID 115229060

IUPAC[(5-methylfuran-2-yl)methylamino]methanol
SMILESCc1ccc(CNCO)o1
InChIInChI=1S/C7H11NO2/c1-6-2-3-7(10-6)4-8-5-9/h2-3,8-9H,4-5H2,1H3
InChIKeyKDPKAPRRLANSHK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.63
Rot. Bonds3

About [(5-methylfuran-2-yl)methylamino]methanol

[(5-methylfuran-2-yl)methylamino]methanol (PubChem CID 115229060) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(5-methylfuran-2-yl)methylamino]methanol.

Molecular Properties

Compound Name[(5-methylfuran-2-yl)methylamino]methanol
PubChem CID115229060
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(5-methylfuran-2-yl)methylamino]methanol
SMILESCc1ccc(CNCO)o1
InChIInChI=1S/C7H11NO2/c1-6-2-3-7(10-6)4-8-5-9/h2-3,8-9H,4-5H2,1H3
InChIKeyKDPKAPRRLANSHK-UHFFFAOYSA-N
XLogP0.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 62524546
(Z)-3-methyl-4-[(5-methylfuran-2-yl)methylamino]but-2-enoic acid
CID 103249273
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
(E)-3-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 107899890
azane;(5-methylfuran-2-yl)methanol
CID 175565780
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837

Frequently Asked Questions

What is the IUPAC name of [(5-methylfuran-2-yl)methylamino]methanol?
The IUPAC name of [(5-methylfuran-2-yl)methylamino]methanol (CID 115229060) is [(5-methylfuran-2-yl)methylamino]methanol.
What is the SMILES notation for [(5-methylfuran-2-yl)methylamino]methanol?
The canonical SMILES for [(5-methylfuran-2-yl)methylamino]methanol is Cc1ccc(CNCO)o1.
What is the InChIKey of [(5-methylfuran-2-yl)methylamino]methanol?
The InChIKey is KDPKAPRRLANSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-2-3-7(10-6)4-8-5-9/h2-3,8-9H,4-5H2,1H3.
What are the key properties of [(5-methylfuran-2-yl)methylamino]methanol?
[(5-methylfuran-2-yl)methylamino]methanol has a molecular weight of 141.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methylfuran-2-yl)methylamino]methanol is sourced from PubChem (CID 115229060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).