N-(fluoren-9-ylideneamino)-3-methylaniline

C20H16N2 — CID 4057628

IUPACN-(fluoren-9-ylideneamino)-3-methylaniline
SMILESCc1cccc(NN=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H16N2/c1-14-7-6-8-15(13-14)21-22-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,21H,1H3
InChIKeyDJXXOGLMALNTSK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.84
Rot. Bonds2

About N-(fluoren-9-ylideneamino)-3-methylaniline

N-(fluoren-9-ylideneamino)-3-methylaniline (PubChem CID 4057628) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(fluoren-9-ylideneamino)-3-methylaniline.

Molecular Properties

Compound NameN-(fluoren-9-ylideneamino)-3-methylaniline
PubChem CID4057628
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC NameN-(fluoren-9-ylideneamino)-3-methylaniline
SMILESCc1cccc(NN=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H16N2/c1-14-7-6-8-15(13-14)21-22-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,21H,1H3
InChIKeyDJXXOGLMALNTSK-UHFFFAOYSA-N
XLogP4.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(fluoren-9-ylideneamino)-3-methylaniline?
The IUPAC name of N-(fluoren-9-ylideneamino)-3-methylaniline (CID 4057628) is N-(fluoren-9-ylideneamino)-3-methylaniline.
What is the SMILES notation for N-(fluoren-9-ylideneamino)-3-methylaniline?
The canonical SMILES for N-(fluoren-9-ylideneamino)-3-methylaniline is Cc1cccc(NN=C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of N-(fluoren-9-ylideneamino)-3-methylaniline?
The InChIKey is DJXXOGLMALNTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-7-6-8-15(13-14)21-22-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,21H,1H3.
What are the key properties of N-(fluoren-9-ylideneamino)-3-methylaniline?
N-(fluoren-9-ylideneamino)-3-methylaniline has a molecular weight of 284.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoren-9-ylideneamino)-3-methylaniline is sourced from PubChem (CID 4057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).