3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol

C13H19NO3 — CID 113357915

IUPAC3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
SMILESOCC1CCCC1NCc1cccc(O)c1O
InChIInChI=1S/C13H19NO3/c15-8-10-4-1-5-11(10)14-7-9-3-2-6-12(16)13(9)17/h2-3,6,10-11,14-17H,1,4-5,7-8H2
InChIKeyJNBUUEIADCFHRN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.35
Rot. Bonds4

About 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol

3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol (PubChem CID 113357915) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
PubChem CID113357915
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
SMILESOCC1CCCC1NCc1cccc(O)c1O
InChIInChI=1S/C13H19NO3/c15-8-10-4-1-5-11(10)14-7-9-3-2-6-12(16)13(9)17/h2-3,6,10-11,14-17H,1,4-5,7-8H2
InChIKeyJNBUUEIADCFHRN-UHFFFAOYSA-N
XLogP1.35
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
CID 103700403
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol (CID 113357915) is 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol is OCC1CCCC1NCc1cccc(O)c1O.
What is the InChIKey of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol?
The InChIKey is JNBUUEIADCFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-8-10-4-1-5-11(10)14-7-9-3-2-6-12(16)13(9)17/h2-3,6,10-11,14-17H,1,4-5,7-8H2.
What are the key properties of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol?
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol has a molecular weight of 237.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 113357915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).