[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol

C12H19NO3 — CID 79134603

IUPAC[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CCOCC2)o1
InChIInChI=1S/C12H19NO3/c1-9-2-3-10(16-9)11(14)12(8-13)4-6-15-7-5-12/h2-3,11,14H,4-8,13H2,1H3
InChIKeyZYTLMERXXZQILX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.38
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol

[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol (PubChem CID 79134603) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
PubChem CID79134603
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CCOCC2)o1
InChIInChI=1S/C12H19NO3/c1-9-2-3-10(16-9)11(14)12(8-13)4-6-15-7-5-12/h2-3,11,14H,4-8,13H2,1H3
InChIKeyZYTLMERXXZQILX-UHFFFAOYSA-N
XLogP1.38
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
CID 79135340
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol
CID 79134897
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol
CID 126977179
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(5-bromofuran-2-yl)methanol
CID 79135610
[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138820
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol (CID 79134603) is [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol is Cc1ccc(C(O)C2(CN)CCOCC2)o1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol?
The InChIKey is ZYTLMERXXZQILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-2-3-10(16-9)11(14)12(8-13)4-6-15-7-5-12/h2-3,11,14H,4-8,13H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol?
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol has a molecular weight of 225.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 79134603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).