2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol

C38H41NO3 — CID 66689958

IUPAC2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1cccc(OCc2ccccc2)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C38H41NO3/c40-23-22-39(28-33-16-10-17-37(26-33)42-30-32-14-6-2-7-15-32)29-34-18-19-36-27-38(21-20-35(36)25-34)41-24-9-3-8-13-31-11-4-1-5-12-31/h1-2,4-7,10-12,14-21,25-27,40H,3,8-9,13,22-24,28-30H2
InChIKeyBJUXDAUNTNKXSZ-UHFFFAOYSA-N
MW559.75 g/mol
LogP8.21
Rot. Bonds16

About 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol

2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol (PubChem CID 66689958) has the molecular formula C38H41NO3 and a molecular weight of 559.75 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
PubChem CID66689958
Molecular FormulaC38H41NO3
Molecular Weight559.75 g/mol
Exact Mass559.31
IUPAC Name2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1cccc(OCc2ccccc2)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C38H41NO3/c40-23-22-39(28-33-16-10-17-37(26-33)42-30-32-14-6-2-7-15-32)29-34-18-19-36-27-38(21-20-35(36)25-34)41-24-9-3-8-13-31-11-4-1-5-12-31/h1-2,4-7,10-12,14-21,25-27,40H,3,8-9,13,22-24,28-30H2
InChIKeyBJUXDAUNTNKXSZ-UHFFFAOYSA-N
XLogP8.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.75
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[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
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
CID 66689482
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
CID 29761
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
3-(6-phenylhexoxy)phenol
CID 54079626
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol (CID 66689958) is 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol is OCCN(Cc1cccc(OCc2ccccc2)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
The InChIKey is BJUXDAUNTNKXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41NO3/c40-23-22-39(28-33-16-10-17-37(26-33)42-30-32-14-6-2-7-15-32)29-34-18-19-36-27-38(21-20-35(36)25-34)41-24-9-3-8-13-31-11-4-1-5-12-31/h1-2,4-7,10-12,14-21,25-27,40H,3,8-9,13,22-24,28-30H2.
What are the key properties of 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol?
2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol has a molecular weight of 559.75 g/mol, XLogP of 8.21, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 66689958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).