2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol

C17H27NO2 — CID 82983460

IUPAC2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(CC(C)C)C2CCCC2)c(O)c1
InChIInChI=1S/C17H27NO2/c1-13(2)11-18(15-6-4-5-7-15)12-14-8-9-16(20-3)10-17(14)19/h8-10,13,15,19H,4-7,11-12H2,1-3H3
InChIKeyULKKEGIHROUWGE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.80
Rot. Bonds6

About 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol

2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol (PubChem CID 82983460) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
PubChem CID82983460
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(CC(C)C)C2CCCC2)c(O)c1
InChIInChI=1S/C17H27NO2/c1-13(2)11-18(15-6-4-5-7-15)12-14-8-9-16(20-3)10-17(14)19/h8-10,13,15,19H,4-7,11-12H2,1-3H3
InChIKeyULKKEGIHROUWGE-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
CID 106624786
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943
2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 112616382
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol (CID 82983460) is 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol is COc1ccc(CN(CC(C)C)C2CCCC2)c(O)c1.
What is the InChIKey of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol?
The InChIKey is ULKKEGIHROUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)11-18(15-6-4-5-7-15)12-14-8-9-16(20-3)10-17(14)19/h8-10,13,15,19H,4-7,11-12H2,1-3H3.
What are the key properties of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol?
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 82983460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).