N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride

C20H17ClN2 — CID 15945047

IUPACN-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride
SMILESCc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1.Cl
InChIInChI=1S/C20H16N2.ClH/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-13,21H,1H3;1H
InChIKeySGIMYRJAFZMJAF-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.26
Rot. Bonds2

About N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride

N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride (PubChem CID 15945047) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride
PubChem CID15945047
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC NameN-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride
SMILESCc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1.Cl
InChIInChI=1S/C20H16N2.ClH/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-13,21H,1H3;1H
InChIKeySGIMYRJAFZMJAF-UHFFFAOYSA-N
XLogP5.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.26
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)-4-methylaniline;hydrochloride?
The IUPAC name of N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride (CID 15945047) is N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride.
What is the SMILES notation for N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride?
The canonical SMILES for N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride is Cc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1.Cl.
What is the InChIKey of N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride?
The InChIKey is SGIMYRJAFZMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.ClH/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-13,21H,1H3;1H.
What are the key properties of N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride?
N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 5.26, 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)-4-methylaniline;hydrochloride is sourced from PubChem (CID 15945047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).