2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine

C31H33NO2 — CID 20685417

IUPAC2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
SMILESCC(C)(c1ccccc1)c1ccc(OCc2cccc(COc3ccc(CCN)cc3)c2)cc1
InChIInChI=1S/C31H33NO2/c1-31(2,27-9-4-3-5-10-27)28-13-17-30(18-14-28)34-23-26-8-6-7-25(21-26)22-33-29-15-11-24(12-16-29)19-20-32/h3-18,21H,19-20,22-23,32H2,1-2H3
InChIKeyQLWJVTMMPZXZLF-UHFFFAOYSA-N
MW451.61 g/mol
LogP6.67
Rot. Bonds10

About 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine

2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine (PubChem CID 20685417) has the molecular formula C31H33NO2 and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
PubChem CID20685417
Molecular FormulaC31H33NO2
Molecular Weight451.61 g/mol
Exact Mass451.25
IUPAC Name2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
SMILESCC(C)(c1ccccc1)c1ccc(OCc2cccc(COc3ccc(CCN)cc3)c2)cc1
InChIInChI=1S/C31H33NO2/c1-31(2,27-9-4-3-5-10-27)28-13-17-30(18-14-28)34-23-26-8-6-7-25(21-26)22-33-29-15-11-24(12-16-29)19-20-32/h3-18,21H,19-20,22-23,32H2,1-2H3
InChIKeyQLWJVTMMPZXZLF-UHFFFAOYSA-N
XLogP6.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine with MolForge

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Related Compounds

2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
CID 11016435
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
4-[[3-[[4-[2-(4-fluorophenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
CID 54084180
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine (CID 20685417) is 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine is CC(C)(c1ccccc1)c1ccc(OCc2cccc(COc3ccc(CCN)cc3)c2)cc1.
What is the InChIKey of 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine?
The InChIKey is QLWJVTMMPZXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2/c1-31(2,27-9-4-3-5-10-27)28-13-17-30(18-14-28)34-23-26-8-6-7-25(21-26)22-33-29-15-11-24(12-16-29)19-20-32/h3-18,21H,19-20,22-23,32H2,1-2H3.
What are the key properties of 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine?
2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine has a molecular weight of 451.61 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 20685417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).