2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine

C27H34N2O4 — CID 146309284

IUPAC2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H34N2O4/c28-13-15-30-17-18-31-16-14-29-20-25-11-12-26(32-21-23-7-3-1-4-8-23)27(19-25)33-22-24-9-5-2-6-10-24/h1-12,19,29H,13-18,20-22,28H2
InChIKeyAZNJFXFPJDLWOF-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.93
Rot. Bonds16

About 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine

2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine (PubChem CID 146309284) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine
PubChem CID146309284
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H34N2O4/c28-13-15-30-17-18-31-16-14-29-20-25-11-12-26(32-21-23-7-3-1-4-8-23)27(19-25)33-22-24-9-5-2-6-10-24/h1-12,19,29H,13-18,20-22,28H2
InChIKeyAZNJFXFPJDLWOF-UHFFFAOYSA-N
XLogP3.93
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-[3,4-bis(phenylmethoxy)phenoxy]propan-2-ol
CID 153397125
N-[2-[2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 172676794
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851
2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 146309825
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718175
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292781
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine (CID 146309284) is 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine is NCCOCCOCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The InChIKey is AZNJFXFPJDLWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c28-13-15-30-17-18-31-16-14-29-20-25-11-12-26(32-21-23-7-3-1-4-8-23)27(19-25)33-22-24-9-5-2-6-10-24/h1-12,19,29H,13-18,20-22,28H2.
What are the key properties of 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine?
2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine has a molecular weight of 450.58 g/mol, XLogP of 3.93, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 146309284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).