5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H33N3O2 — CID 10453320

IUPAC5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1N1CCN(CCNC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
InChIKeyFVDGLILSFMGSJG-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.49
Rot. Bonds7

About 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10453320) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10453320
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1N1CCN(CCNC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
InChIKeyFVDGLILSFMGSJG-UHFFFAOYSA-N
XLogP3.49
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10453320) is 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccccc1N1CCN(CCNC2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FVDGLILSFMGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3.
What are the key properties of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 395.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10453320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).