4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine

C27H29N3 — CID 162173574

IUPAC4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine
SMILESCCN(CC)c1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C27H29N3/c1-3-30(4-2)26-18-17-25(23-7-5-6-8-24(23)26)27(19-9-13-21(28)14-10-19)20-11-15-22(29)16-12-20/h5-18,27H,3-4,28-29H2,1-2H3
InChIKeyPZEYUIQTNGZFRP-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.03
Rot. Bonds6

About 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine

4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine (PubChem CID 162173574) has the molecular formula C27H29N3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine
PubChem CID162173574
Molecular FormulaC27H29N3
Molecular Weight395.55 g/mol
Exact Mass395.24
IUPAC Name4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine
SMILESCCN(CC)c1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C27H29N3/c1-3-30(4-2)26-18-17-25(23-7-5-6-8-24(23)26)27(19-9-13-21(28)14-10-19)20-11-15-22(29)16-12-20/h5-18,27H,3-4,28-29H2,1-2H3
InChIKeyPZEYUIQTNGZFRP-UHFFFAOYSA-N
XLogP6.03
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine?
The IUPAC name of 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine (CID 162173574) is 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine.
What is the SMILES notation for 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine?
The canonical SMILES for 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine is CCN(CC)c1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine?
The InChIKey is PZEYUIQTNGZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3/c1-3-30(4-2)26-18-17-25(23-7-5-6-8-24(23)26)27(19-9-13-21(28)14-10-19)20-11-15-22(29)16-12-20/h5-18,27H,3-4,28-29H2,1-2H3.
What are the key properties of 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine?
4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine has a molecular weight of 395.55 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine is sourced from PubChem (CID 162173574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).