2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol

C36H36F3NO3 — CID 66689482

IUPAC2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C36H36F3NO3/c37-36(38,39)34-13-7-6-12-33(34)35-19-18-32(43-35)26-40(20-21-41)25-28-14-15-30-24-31(17-16-29(30)23-28)42-22-8-2-5-11-27-9-3-1-4-10-27/h1,3-4,6-7,9-10,12-19,23-24,41H,2,5,8,11,20-22,25-26H2
InChIKeyNUROQRZPCXSFFD-UHFFFAOYSA-N
MW587.68 g/mol
LogP8.90
Rot. Bonds14

About 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol

2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol (PubChem CID 66689482) has the molecular formula C36H36F3NO3 and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
PubChem CID66689482
Molecular FormulaC36H36F3NO3
Molecular Weight587.68 g/mol
Exact Mass587.26
IUPAC Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C36H36F3NO3/c37-36(38,39)34-13-7-6-12-33(34)35-19-18-32(43-35)26-40(20-21-41)25-28-14-15-30-24-31(17-16-29(30)23-28)42-22-8-2-5-11-27-9-3-1-4-10-27/h1,3-4,6-7,9-10,12-19,23-24,41H,2,5,8,11,20-22,25-26H2
InChIKeyNUROQRZPCXSFFD-UHFFFAOYSA-N
XLogP8.90
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689302
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
CID 66689165
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
CID 66690238
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689998
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
3-[[6-[4-(2-chlorophenyl)butoxy]naphthalen-2-yl]methyl-(2-hydroxyethyl)amino]propanoic acid
CID 174496687
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
2-(3-phenylpropoxy)naphthalene
CID 13432986
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol (CID 66689482) is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol is OCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol?
The InChIKey is NUROQRZPCXSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F3NO3/c37-36(38,39)34-13-7-6-12-33(34)35-19-18-32(43-35)26-40(20-21-41)25-28-14-15-30-24-31(17-16-29(30)23-28)42-22-8-2-5-11-27-9-3-1-4-10-27/h1,3-4,6-7,9-10,12-19,23-24,41H,2,5,8,11,20-22,25-26H2.
What are the key properties of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol?
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol has a molecular weight of 587.68 g/mol, XLogP of 8.90, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 66689482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).