[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol

C17H25NO2 — CID 107230384

IUPAC[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c19-13-15-5-3-4-14(10-15)11-18-12-16-6-9-17(20-16)7-1-2-8-17/h3-5,10,16,18-19H,1-2,6-9,11-13H2
InChIKeyVPKKEDPSBIQNPU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.76
Rot. Bonds5

About [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol

[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol (PubChem CID 107230384) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
PubChem CID107230384
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c19-13-15-5-3-4-14(10-15)11-18-12-16-6-9-17(20-16)7-1-2-8-17/h3-5,10,16,18-19H,1-2,6-9,11-13H2
InChIKeyVPKKEDPSBIQNPU-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol with MolForge

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102896758
N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896687
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
N-[(2-methoxy-4-pyridinyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897255
N-[(2-bromophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896978
N-[(4-nitrophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896886
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
N-[(2,4-difluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897175
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177

Frequently Asked Questions

What is the IUPAC name of [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol (CID 107230384) is [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol is OCc1cccc(CNCC2CCC3(CCCC3)O2)c1.
What is the InChIKey of [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol?
The InChIKey is VPKKEDPSBIQNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-13-15-5-3-4-14(10-15)11-18-12-16-6-9-17(20-16)7-1-2-8-17/h3-5,10,16,18-19H,1-2,6-9,11-13H2.
What are the key properties of [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol?
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol has a molecular weight of 275.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).