2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol

C16H25NO2 — CID 82974363

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN(C)C2CCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-3-10-19-15-9-8-13(16(18)11-15)12-17(2)14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12H2,1-2H3
InChIKeySIXPUBLZSNSMGX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.56
Rot. Bonds6

About 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol

2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol (PubChem CID 82974363) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
PubChem CID82974363
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN(C)C2CCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-3-10-19-15-9-8-13(16(18)11-15)12-17(2)14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12H2,1-2H3
InChIKeySIXPUBLZSNSMGX-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.56
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

(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol
CID 82958700
2-[[methyl(2-methylsulfonylethyl)amino]methyl]-5-propoxyphenol
CID 82983133
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
CID 82956879
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54809683
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
2-[(2-methylpropylamino)methyl]-5-propoxyphenol
CID 55147776
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol (CID 82974363) is 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol is CCCOc1ccc(CN(C)C2CCCC2)c(O)c1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol?
The InChIKey is SIXPUBLZSNSMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-19-15-9-8-13(16(18)11-15)12-17(2)14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol?
2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol is sourced from PubChem (CID 82974363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).