3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol

C14H21NO2 — CID 107417630

IUPAC3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
SMILESCC1CCCC1CNCc1cccc(O)c1O
InChIInChI=1S/C14H21NO2/c1-10-4-2-5-11(10)8-15-9-12-6-3-7-13(16)14(12)17/h3,6-7,10-11,15-17H,2,4-5,8-9H2,1H3
InChIKeyJFQAFZPKTPHFOG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds4

About 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol

3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol (PubChem CID 107417630) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
PubChem CID107417630
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
SMILESCC1CCCC1CNCc1cccc(O)c1O
InChIInChI=1S/C14H21NO2/c1-10-4-2-5-11(10)8-15-9-12-6-3-7-13(16)14(12)17/h3,6-7,10-11,15-17H,2,4-5,8-9H2,1H3
InChIKeyJFQAFZPKTPHFOG-UHFFFAOYSA-N
XLogP2.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417645
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol (CID 107417630) is 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol is CC1CCCC1CNCc1cccc(O)c1O.
What is the InChIKey of 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol?
The InChIKey is JFQAFZPKTPHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-2-5-11(10)8-15-9-12-6-3-7-13(16)14(12)17/h3,6-7,10-11,15-17H,2,4-5,8-9H2,1H3.
What are the key properties of 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol?
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol has a molecular weight of 235.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 107417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).