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

C24H33N3O2 — CID 10408398

IUPAC7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCN1CCN(c3ccccc3OC)CC1)CCC2
InChIInChI=1S/C24H33N3O2/c1-28-20-11-10-19-6-5-7-22(21(19)18-20)25-12-13-26-14-16-27(17-15-26)23-8-3-4-9-24(23)29-2/h3-4,8-11,18,22,25H,5-7,12-17H2,1-2H3
InChIKeyJCKQMQMMZHMRFM-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.49
Rot. Bonds7

About 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10408398) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10408398
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCN1CCN(c3ccccc3OC)CC1)CCC2
InChIInChI=1S/C24H33N3O2/c1-28-20-11-10-19-6-5-7-22(21(19)18-20)25-12-13-26-14-16-27(17-15-26)23-8-3-4-9-24(23)29-2/h3-4,8-11,18,22,25H,5-7,12-17H2,1-2H3
InChIKeyJCKQMQMMZHMRFM-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 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10408398) is 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCCN1CCN(c3ccccc3OC)CC1)CCC2.
What is the InChIKey of 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JCKQMQMMZHMRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-20-11-10-19-6-5-7-22(21(19)18-20)25-12-13-26-14-16-27(17-15-26)23-8-3-4-9-24(23)29-2/h3-4,8-11,18,22,25H,5-7,12-17H2,1-2H3.
What are the key properties of 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-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 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10408398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).