N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride

C20H14ClF3N2 — CID 2790704

IUPACN-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C20H13F3N2.ClH/c21-20(22,23)13-6-5-7-14(12-13)24-19-15-8-1-3-10-17(15)25-18-11-4-2-9-16(18)19;/h1-12H,(H,24,25);1H
InChIKeyQTFFEPGFSVFQTM-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.57
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride

N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride (PubChem CID 2790704) has the molecular formula C20H14ClF3N2 and a molecular weight of 374.79 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
PubChem CID2790704
Molecular FormulaC20H14ClF3N2
Molecular Weight374.79 g/mol
Exact Mass374.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C20H13F3N2.ClH/c21-20(22,23)13-6-5-7-14(12-13)24-19-15-8-1-3-10-17(15)25-18-11-4-2-9-16(18)19;/h1-12H,(H,24,25);1H
InChIKeyQTFFEPGFSVFQTM-UHFFFAOYSA-N
XLogP6.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.79
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-[3-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-amine
CID 155538501
1-[4-[(4-methoxyacridin-9-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127037355
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
(Z)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid
CID 90679762

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride (CID 2790704) is N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride is Cl.FC(F)(F)c1cccc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride?
The InChIKey is QTFFEPGFSVFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2.ClH/c21-20(22,23)13-6-5-7-14(12-13)24-19-15-8-1-3-10-17(15)25-18-11-4-2-9-16(18)19;/h1-12H,(H,24,25);1H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride?
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride has a molecular weight of 374.79 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride is sourced from PubChem (CID 2790704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).