2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol

C15H21NO2 — CID 103923815

IUPAC2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCCC2=CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-6-7-15(17)13(10-14)11-16-9-8-12-4-2-3-5-12/h4,6-7,10,16-17H,2-3,5,8-9,11H2,1H3
InChIKeyQPPSKXSBCBNNNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.99
Rot. Bonds6

About 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol

2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol (PubChem CID 103923815) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
PubChem CID103923815
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCCC2=CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-6-7-15(17)13(10-14)11-16-9-8-12-4-2-3-5-12/h4,6-7,10,16-17H,2-3,5,8-9,11H2,1H3
InChIKeyQPPSKXSBCBNNNE-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.99
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
CID 56805762
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
CID 111793680
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111793679
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
methyl 3-bromo-4-[[2-(cyclopenten-1-yl)ethylamino]methyl]benzoate
CID 106174082
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
CID 103923811
4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
CID 103922840

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol (CID 103923815) is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNCCC2=CCCC2)c1.
What is the InChIKey of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol?
The InChIKey is QPPSKXSBCBNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-6-7-15(17)13(10-14)11-16-9-8-12-4-2-3-5-12/h4,6-7,10,16-17H,2-3,5,8-9,11H2,1H3.
What are the key properties of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol?
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol has a molecular weight of 247.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 103923815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).