[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol

C12H19NO2 — CID 115243693

IUPAC[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CCNCC2(CO)CC2)o1
InChIInChI=1S/C12H19NO2/c1-10-2-3-11(15-10)4-7-13-8-12(9-14)5-6-12/h2-3,13-14H,4-9H2,1H3
InChIKeyXTLZETZVAQNDTM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds6

About [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115243693) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115243693
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CCNCC2(CO)CC2)o1
InChIInChI=1S/C12H19NO2/c1-10-2-3-11(15-10)4-7-13-8-12(9-14)5-6-12/h2-3,13-14H,4-9H2,1H3
InChIKeyXTLZETZVAQNDTM-UHFFFAOYSA-N
XLogP1.49
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247111
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
azane;(5-methylfuran-2-yl)methanol
CID 175565780
[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111778122

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol (CID 115243693) is [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol is Cc1ccc(CCNCC2(CO)CC2)o1.
What is the InChIKey of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is XTLZETZVAQNDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-2-3-11(15-10)4-7-13-8-12(9-14)5-6-12/h2-3,13-14H,4-9H2,1H3.
What are the key properties of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).