N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine

C24H29NO2 — CID 10248159

IUPACN-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
SMILESCC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1
InChIInChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
InChIKeyRAIDOKRWKAIHOH-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.14
Rot. Bonds7

About N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine

N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine (PubChem CID 10248159) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
PubChem CID10248159
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
SMILESCC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1
InChIInChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
InChIKeyRAIDOKRWKAIHOH-UHFFFAOYSA-N
XLogP5.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine?
The IUPAC name of N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine (CID 10248159) is N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine.
What is the SMILES notation for N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine?
The canonical SMILES for N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine is CC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1.
What is the InChIKey of N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine?
The InChIKey is RAIDOKRWKAIHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3.
What are the key properties of N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine?
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine has a molecular weight of 363.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine is sourced from PubChem (CID 10248159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).