1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

C16H25NO2 — CID 65210710

IUPAC1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCCCNCc1ccccc1OCC1(O)CCCC1
InChIInChI=1S/C16H25NO2/c1-2-11-17-12-14-7-3-4-8-15(14)19-13-16(18)9-5-6-10-16/h3-4,7-8,17-18H,2,5-6,9-13H2,1H3
InChIKeyQENIPSDPOZFYEA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds7

About 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (PubChem CID 65210710) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
PubChem CID65210710
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCCCNCc1ccccc1OCC1(O)CCCC1
InChIInChI=1S/C16H25NO2/c1-2-11-17-12-14-7-3-4-8-15(14)19-13-16(18)9-5-6-10-16/h3-4,7-8,17-18H,2,5-6,9-13H2,1H3
InChIKeyQENIPSDPOZFYEA-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208762
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
CID 60881782
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (CID 65210710) is 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is CCCNCc1ccccc1OCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is QENIPSDPOZFYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-11-17-12-14-7-3-4-8-15(14)19-13-16(18)9-5-6-10-16/h3-4,7-8,17-18H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).