N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine

C27H26BrN3 — CID 57356469

IUPACN-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine
SMILESCCN(CC)c1ccc(C=NN(c2ccccc2)c2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C27H26BrN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3
InChIKeySMAVSXJWCJFFPT-UHFFFAOYSA-N
MW472.43 g/mol
LogP7.62
Rot. Bonds7

About N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine

N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine (PubChem CID 57356469) has the molecular formula C27H26BrN3 and a molecular weight of 472.43 g/mol. Its IUPAC name is N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine
PubChem CID57356469
Molecular FormulaC27H26BrN3
Molecular Weight472.43 g/mol
Exact Mass471.13
IUPAC NameN-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine
SMILESCCN(CC)c1ccc(C=NN(c2ccccc2)c2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C27H26BrN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3
InChIKeySMAVSXJWCJFFPT-UHFFFAOYSA-N
XLogP7.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.43
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine (CID 57356469) is N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine is CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccc3ccccc3c2)c(Br)c1.
What is the InChIKey of N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The InChIKey is SMAVSXJWCJFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3.
What are the key properties of N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine has a molecular weight of 472.43 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 57356469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).