[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

C25H27NO2 — CID 20700046

IUPAC[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCOc1ccccc1-c1ccc(COc2ccc3c(c2)CCC(CN)C3)cc1
InChIInChI=1S/C25H27NO2/c1-27-25-5-3-2-4-24(25)20-9-6-18(7-10-20)17-28-23-13-12-21-14-19(16-26)8-11-22(21)15-23/h2-7,9-10,12-13,15,19H,8,11,14,16-17,26H2,1H3
InChIKeyJXYXWEHDOZDWMM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.00
Rot. Bonds6

About [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 20700046) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID20700046
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCOc1ccccc1-c1ccc(COc2ccc3c(c2)CCC(CN)C3)cc1
InChIInChI=1S/C25H27NO2/c1-27-25-5-3-2-4-24(25)20-9-6-18(7-10-20)17-28-23-13-12-21-14-19(16-26)8-11-22(21)15-23/h2-7,9-10,12-13,15,19H,8,11,14,16-17,26H2,1H3
InChIKeyJXYXWEHDOZDWMM-UHFFFAOYSA-N
XLogP5.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 20700046) is [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is COc1ccccc1-c1ccc(COc2ccc3c(c2)CCC(CN)C3)cc1.
What is the InChIKey of [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is JXYXWEHDOZDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-27-25-5-3-2-4-24(25)20-9-6-18(7-10-20)17-28-23-13-12-21-14-19(16-26)8-11-22(21)15-23/h2-7,9-10,12-13,15,19H,8,11,14,16-17,26H2,1H3.
What are the key properties of [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 373.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 20700046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).