2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol

C16H25NO2 — CID 55259523

IUPAC2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCCOC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(18)15(11-12)13(2)17-9-10-19-14-5-3-4-6-14/h7-8,11,13-14,17-18H,3-6,9-10H2,1-2H3
InChIKeyACZXQENVXSHWAQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds6

About 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol

2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol (PubChem CID 55259523) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
PubChem CID55259523
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCCOC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(18)15(11-12)13(2)17-9-10-19-14-5-3-4-6-14/h7-8,11,13-14,17-18H,3-6,9-10H2,1-2H3
InChIKeyACZXQENVXSHWAQ-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924748
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol (CID 55259523) is 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)NCCOC2CCCC2)c1.
What is the InChIKey of 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol?
The InChIKey is ACZXQENVXSHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-8-16(18)15(11-12)13(2)17-9-10-19-14-5-3-4-6-14/h7-8,11,13-14,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol?
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 55259523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).