4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol

C28H27NO3 — CID 20685429

IUPAC4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
SMILESNCc1ccc(OCc2cccc(COc3ccc(Cc4ccc(O)cc4)cc3)c2)cc1
InChIInChI=1S/C28H27NO3/c29-18-23-8-14-28(15-9-23)32-20-25-3-1-2-24(17-25)19-31-27-12-6-22(7-13-27)16-21-4-10-26(30)11-5-21/h1-15,17,30H,16,18-20,29H2
InChIKeyWMGUMMQZWKHDRZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.60
Rot. Bonds9

About 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol

4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol (PubChem CID 20685429) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
PubChem CID20685429
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
SMILESNCc1ccc(OCc2cccc(COc3ccc(Cc4ccc(O)cc4)cc3)c2)cc1
InChIInChI=1S/C28H27NO3/c29-18-23-8-14-28(15-9-23)32-20-25-3-1-2-24(17-25)19-31-27-12-6-22(7-13-27)16-21-4-10-26(30)11-5-21/h1-15,17,30H,16,18-20,29H2
InChIKeyWMGUMMQZWKHDRZ-UHFFFAOYSA-N
XLogP5.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol with MolForge

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Related Compounds

4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]sulfanylphenol
CID 15407959
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
ethyl 4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]-4-(4-hydroxyphenyl)pentanoate
CID 20685431
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
CID 101277634
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
CID 11016435

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol?
The IUPAC name of 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol (CID 20685429) is 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol?
The canonical SMILES for 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol is NCc1ccc(OCc2cccc(COc3ccc(Cc4ccc(O)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol?
The InChIKey is WMGUMMQZWKHDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO3/c29-18-23-8-14-28(15-9-23)32-20-25-3-1-2-24(17-25)19-31-27-12-6-22(7-13-27)16-21-4-10-26(30)11-5-21/h1-15,17,30H,16,18-20,29H2.
What are the key properties of 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol?
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol has a molecular weight of 425.53 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol is sourced from PubChem (CID 20685429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).