[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol

C12H19NO3 — CID 115758150

IUPAC[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
SMILESCC1(NCc2ccc(CO)o2)CCOCC1
InChIInChI=1S/C12H19NO3/c1-12(4-6-15-7-5-12)13-8-10-2-3-11(9-14)16-10/h2-3,13-14H,4-9H2,1H3
InChIKeyXROKEXIYCVXEKL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.43
Rot. Bonds4

About [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol

[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 115758150) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
PubChem CID115758150
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
SMILESCC1(NCc2ccc(CO)o2)CCOCC1
InChIInChI=1S/C12H19NO3/c1-12(4-6-15-7-5-12)13-8-10-2-3-11(9-14)16-10/h2-3,13-14H,4-9H2,1H3
InChIKeyXROKEXIYCVXEKL-UHFFFAOYSA-N
XLogP1.43
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 115762994
N-[(5-ethylfuran-2-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697508
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
CID 103765942
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841
5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
CID 82709928
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
CID 113491017
2-[4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]propanoic acid
CID 103264182
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
4-methyl-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 115757945
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797

Frequently Asked Questions

What is the IUPAC name of [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol (CID 115758150) is [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol is CC1(NCc2ccc(CO)o2)CCOCC1.
What is the InChIKey of [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is XROKEXIYCVXEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(4-6-15-7-5-12)13-8-10-2-3-11(9-14)16-10/h2-3,13-14H,4-9H2,1H3.
What are the key properties of [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol?
[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115758150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).