N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine

C19H16ClFN2 — CID 3658778

IUPACN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1Cl
InChIInChI=1S/C19H16ClFN2/c20-15-11-12(9-10-16(15)21)22-19-13-5-1-3-7-17(13)23-18-8-4-2-6-14(18)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,22,23)
InChIKeyKOGABTAOZMLNIH-UHFFFAOYSA-N
MW326.80 g/mol
LogP5.65
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 3658778) has the molecular formula C19H16ClFN2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID3658778
Molecular FormulaC19H16ClFN2
Molecular Weight326.80 g/mol
Exact Mass326.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1Cl
InChIInChI=1S/C19H16ClFN2/c20-15-11-12(9-10-16(15)21)22-19-13-5-1-3-7-17(13)23-18-8-4-2-6-14(18)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,22,23)
InChIKeyKOGABTAOZMLNIH-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059
N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 72735103
N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
CID 134912890
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889926
7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 15993644
6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20859027
N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 4060631
7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858368
7-chloro-N-(2-methylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858370
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252
N-(3-chloro-4-fluorophenyl)-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800760
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 3658778) is N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine is Fc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is KOGABTAOZMLNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2/c20-15-11-12(9-10-16(15)21)22-19-13-5-1-3-7-17(13)23-18-8-4-2-6-14(18)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 326.80 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 3658778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).