2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol

C27H31NO3 — CID 170118423

IUPAC2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol
SMILESCC(C)Cc1cccc(COc2ccc(/C=N/CCO)cc2OCc2ccccc2)c1
InChIInChI=1S/C27H31NO3/c1-21(2)15-23-9-6-10-25(16-23)20-30-26-12-11-24(18-28-13-14-29)17-27(26)31-19-22-7-4-3-5-8-22/h3-12,16-18,21,29H,13-15,19-20H2,1-2H3/b28-18+
InChIKeyFHARFMQIFPZIMC-MTDXEUNCSA-N
MW417.55 g/mol
LogP5.45
Rot. Bonds11

About 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol

2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol (PubChem CID 170118423) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol.

Molecular Properties

Compound Name2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol
PubChem CID170118423
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol
SMILESCC(C)Cc1cccc(COc2ccc(/C=N/CCO)cc2OCc2ccccc2)c1
InChIInChI=1S/C27H31NO3/c1-21(2)15-23-9-6-10-25(16-23)20-30-26-12-11-24(18-28-13-14-29)17-27(26)31-19-22-7-4-3-5-8-22/h3-12,16-18,21,29H,13-15,19-20H2,1-2H3/b28-18+
InChIKeyFHARFMQIFPZIMC-MTDXEUNCSA-N
XLogP5.45
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
CID 6905782
4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
CID 139603519
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 96885458
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol?
The IUPAC name of 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol (CID 170118423) is 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol.
What is the SMILES notation for 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol?
The canonical SMILES for 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol is CC(C)Cc1cccc(COc2ccc(/C=N/CCO)cc2OCc2ccccc2)c1.
What is the InChIKey of 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol?
The InChIKey is FHARFMQIFPZIMC-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H31NO3/c1-21(2)15-23-9-6-10-25(16-23)20-30-26-12-11-24(18-28-13-14-29)17-27(26)31-19-22-7-4-3-5-8-22/h3-12,16-18,21,29H,13-15,19-20H2,1-2H3/b28-18+.
What are the key properties of 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol?
2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol has a molecular weight of 417.55 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol is sourced from PubChem (CID 170118423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).