2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol

C34H41NO5 — CID 66689165

IUPAC2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1cc(OC)c(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c(OC)c1
InChIInChI=1S/C34H41NO5/c1-37-31-22-33(38-2)32(34(23-31)39-3)25-35(17-18-36)24-27-13-14-29-21-30(16-15-28(29)20-27)40-19-9-5-8-12-26-10-6-4-7-11-26/h4,6-7,10-11,13-16,20-23,36H,5,8-9,12,17-19,24-25H2,1-3H3
InChIKeyXCSGDXBNCMKSSO-UHFFFAOYSA-N
MW543.70 g/mol
LogP6.65
Rot. Bonds16

About 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol

2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol (PubChem CID 66689165) has the molecular formula C34H41NO5 and a molecular weight of 543.70 g/mol. Its IUPAC name is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
PubChem CID66689165
Molecular FormulaC34H41NO5
Molecular Weight543.70 g/mol
Exact Mass543.30
IUPAC Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1cc(OC)c(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c(OC)c1
InChIInChI=1S/C34H41NO5/c1-37-31-22-33(38-2)32(34(23-31)39-3)25-35(17-18-36)24-27-13-14-29-21-30(16-15-28(29)20-27)40-19-9-5-8-12-26-10-6-4-7-11-26/h4,6-7,10-11,13-16,20-23,36H,5,8-9,12,17-19,24-25H2,1-3H3
InChIKeyXCSGDXBNCMKSSO-UHFFFAOYSA-N
XLogP6.65
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.70
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689302
2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
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-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
CID 66689482
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
3-[[6-[4-(2-chlorophenyl)butoxy]naphthalen-2-yl]methyl-(2-hydroxyethyl)amino]propanoic acid
CID 174496687
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol (CID 66689165) is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol is COc1cc(OC)c(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c(OC)c1.
What is the InChIKey of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol?
The InChIKey is XCSGDXBNCMKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41NO5/c1-37-31-22-33(38-2)32(34(23-31)39-3)25-35(17-18-36)24-27-13-14-29-21-30(16-15-28(29)20-27)40-19-9-5-8-12-26-10-6-4-7-11-26/h4,6-7,10-11,13-16,20-23,36H,5,8-9,12,17-19,24-25H2,1-3H3.
What are the key properties of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol?
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol has a molecular weight of 543.70 g/mol, XLogP of 6.65, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 66689165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).