(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine

C14H14ClN — CID 7063961

IUPAC(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
SMILESCc1c2c(nc3ccccc13)[C@@H](Cl)CCC2
InChIInChI=1S/C14H14ClN/c1-9-10-5-2-3-8-13(10)16-14-11(9)6-4-7-12(14)15/h2-3,5,8,12H,4,6-7H2,1H3/t12-/m0/s1
InChIKeyZEWLLWQVPGSFHQ-LBPRGKRZSA-N
MW231.73 g/mol
LogP4.16
Rot. Bonds

About (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine

(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine (PubChem CID 7063961) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
PubChem CID7063961
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
SMILESCc1c2c(nc3ccccc13)[C@@H](Cl)CCC2
InChIInChI=1S/C14H14ClN/c1-9-10-5-2-3-8-13(10)16-14-11(9)6-4-7-12(14)15/h2-3,5,8,12H,4,6-7H2,1H3/t12-/m0/s1
InChIKeyZEWLLWQVPGSFHQ-LBPRGKRZSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
CID 131881423
6-[(9-methyl-1,2,3,4-tetrahydroacridin-4-yl)oxy]-1,3-benzodioxole-5-carbaldehyde
CID 166432650
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
CID 3044012
2,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 58351930
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
CID 3044001
2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
CID 165047463
9-amino-1,2,3,4-tetrahydroacridine-3,4-diol
CID 54064271
11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
CID 143904669
1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 132532119
(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine
CID 88583620

Frequently Asked Questions

What is the IUPAC name of (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine?
The IUPAC name of (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine (CID 7063961) is (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine is Cc1c2c(nc3ccccc13)[C@@H](Cl)CCC2.
What is the InChIKey of (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine?
The InChIKey is ZEWLLWQVPGSFHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14ClN/c1-9-10-5-2-3-8-13(10)16-14-11(9)6-4-7-12(14)15/h2-3,5,8,12H,4,6-7H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine?
(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine has a molecular weight of 231.73 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 7063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).