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

C25H35N3O2 — CID 10669248

IUPAC5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1N1CCN(CCCNC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H35N3O2/c1-29-24-13-6-8-20-21(24)9-5-10-22(20)26-14-7-15-27-16-18-28(19-17-27)23-11-3-4-12-25(23)30-2/h3-4,6,8,11-13,22,26H,5,7,9-10,14-19H2,1-2H3
InChIKeyJQDKIHJGQVYOCG-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.88
Rot. Bonds8

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

5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10669248) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10669248
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1N1CCN(CCCNC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H35N3O2/c1-29-24-13-6-8-20-21(24)9-5-10-22(20)26-14-7-15-27-16-18-28(19-17-27)23-11-3-4-12-25(23)30-2/h3-4,6,8,11-13,22,26H,5,7,9-10,14-19H2,1-2H3
InChIKeyJQDKIHJGQVYOCG-UHFFFAOYSA-N
XLogP3.88
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10669248) is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccccc1N1CCN(CCCNC2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JQDKIHJGQVYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-29-24-13-6-8-20-21(24)9-5-10-22(20)26-14-7-15-27-16-18-28(19-17-27)23-11-3-4-12-25(23)30-2/h3-4,6,8,11-13,22,26H,5,7,9-10,14-19H2,1-2H3.
What are the key properties of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 409.57 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).