2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol

C31H33NO4 — CID 69286303

IUPAC2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
SMILESCOc1ccc(C(OCCN(CCO)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33NO4/c1-34-29-17-13-26(14-18-29)31(25-9-5-3-6-10-25,27-15-19-30(35-2)20-16-27)36-24-22-32(21-23-33)28-11-7-4-8-12-28/h3-20,33H,21-24H2,1-2H3
InChIKeyZBPKXWXTYIXEDH-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.51
Rot. Bonds12

About 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol

2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol (PubChem CID 69286303) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
PubChem CID69286303
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
SMILESCOc1ccc(C(OCCN(CCO)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33NO4/c1-34-29-17-13-26(14-18-29)31(25-9-5-3-6-10-25,27-15-19-30(35-2)20-16-27)36-24-22-32(21-23-33)28-11-7-4-8-12-28/h3-20,33H,21-24H2,1-2H3
InChIKeyZBPKXWXTYIXEDH-UHFFFAOYSA-N
XLogP5.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
CID 11408463
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
CID 68665796
[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate
CID 58774080
3-[[3-(dimethylamino)phenyl]-(4-methoxyphenyl)-(3-phenylpropoxy)methyl]-N,N-dimethylaniline
CID 53469286
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol?
The IUPAC name of 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol (CID 69286303) is 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol?
The canonical SMILES for 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol is COc1ccc(C(OCCN(CCO)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol?
The InChIKey is ZBPKXWXTYIXEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c1-34-29-17-13-26(14-18-29)31(25-9-5-3-6-10-25,27-15-19-30(35-2)20-16-27)36-24-22-32(21-23-33)28-11-7-4-8-12-28/h3-20,33H,21-24H2,1-2H3.
What are the key properties of 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol?
2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol has a molecular weight of 483.61 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol is sourced from PubChem (CID 69286303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).