2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol

C28H37NO2 — CID 66689302

IUPAC2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C28H37NO2/c1-2-3-17-29(18-19-30)23-25-13-14-27-22-28(16-15-26(27)21-25)31-20-9-5-8-12-24-10-6-4-7-11-24/h4,6-7,10-11,13-16,21-22,30H,2-3,5,8-9,12,17-20,23H2,1H3
InChIKeyOSGIZYILYZPSFZ-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.23
Rot. Bonds14

About 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol

2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol (PubChem CID 66689302) has the molecular formula C28H37NO2 and a molecular weight of 419.61 g/mol. Its IUPAC name is 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
PubChem CID66689302
Molecular FormulaC28H37NO2
Molecular Weight419.61 g/mol
Exact Mass419.28
IUPAC Name2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C28H37NO2/c1-2-3-17-29(18-19-30)23-25-13-14-27-22-28(16-15-26(27)21-25)31-20-9-5-8-12-24-10-6-4-7-11-24/h4,6-7,10-11,13-16,21-22,30H,2-3,5,8-9,12,17-20,23H2,1H3
InChIKeyOSGIZYILYZPSFZ-UHFFFAOYSA-N
XLogP6.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.23
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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Related Compounds

2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
CID 66689165
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689998
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
CID 66690238
3-[[6-[4-(2-chlorophenyl)butoxy]naphthalen-2-yl]methyl-(2-hydroxyethyl)amino]propanoic acid
CID 174496687
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
CID 66689482
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol (CID 66689302) is 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol is CCCCN(CCO)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1.
What is the InChIKey of 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The InChIKey is OSGIZYILYZPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO2/c1-2-3-17-29(18-19-30)23-25-13-14-27-22-28(16-15-26(27)21-25)31-20-9-5-8-12-24-10-6-4-7-11-24/h4,6-7,10-11,13-16,21-22,30H,2-3,5,8-9,12,17-20,23H2,1H3.
What are the key properties of 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol has a molecular weight of 419.61 g/mol, XLogP of 6.23, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 66689302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).