4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine

C25H31N3O — CID 10115617

IUPAC4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine
SMILESCc1cccc(N2CCN(CCCOc3ccc(N)c4ccccc34)CC2)c1C
InChIInChI=1S/C25H31N3O/c1-19-7-5-10-24(20(19)2)28-16-14-27(15-17-28)13-6-18-29-25-12-11-23(26)21-8-3-4-9-22(21)25/h3-5,7-12H,6,13-18,26H2,1-2H3
InChIKeyAGXZENYBQOHUQS-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.63
Rot. Bonds6

About 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine

4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine (PubChem CID 10115617) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine
PubChem CID10115617
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine
SMILESCc1cccc(N2CCN(CCCOc3ccc(N)c4ccccc34)CC2)c1C
InChIInChI=1S/C25H31N3O/c1-19-7-5-10-24(20(19)2)28-16-14-27(15-17-28)13-6-18-29-25-12-11-23(26)21-8-3-4-9-22(21)25/h3-5,7-12H,6,13-18,26H2,1-2H3
InChIKeyAGXZENYBQOHUQS-UHFFFAOYSA-N
XLogP4.63
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine?
The IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine (CID 10115617) is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine?
The canonical SMILES for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine is Cc1cccc(N2CCN(CCCOc3ccc(N)c4ccccc34)CC2)c1C.
What is the InChIKey of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine?
The InChIKey is AGXZENYBQOHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19-7-5-10-24(20(19)2)28-16-14-27(15-17-28)13-6-18-29-25-12-11-23(26)21-8-3-4-9-22(21)25/h3-5,7-12H,6,13-18,26H2,1-2H3.
What are the key properties of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine?
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine has a molecular weight of 389.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]naphthalen-1-amine is sourced from PubChem (CID 10115617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).