9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine

C16H18BrN — CID 82450473

IUPAC9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
SMILESCCc1ccc2nc3c(c(CBr)c2c1)CCCC3
InChIInChI=1S/C16H18BrN/c1-2-11-7-8-16-13(9-11)14(10-17)12-5-3-4-6-15(12)18-16/h7-9H,2-6,10H2,1H3
InChIKeyRNJZWRDBYVPNPE-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.57
Rot. Bonds2

About 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine

9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine (PubChem CID 82450473) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
PubChem CID82450473
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
SMILESCCc1ccc2nc3c(c(CBr)c2c1)CCCC3
InChIInChI=1S/C16H18BrN/c1-2-11-7-8-16-13(9-11)14(10-17)12-5-3-4-6-15(12)18-16/h7-9H,2-6,10H2,1H3
InChIKeyRNJZWRDBYVPNPE-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.57
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

(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480907
9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82449852
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82451478
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590
1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
1-(2,8-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450513
N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82451364
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480371

Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine (CID 82450473) is 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine is CCc1ccc2nc3c(c(CBr)c2c1)CCCC3.
What is the InChIKey of 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine?
The InChIKey is RNJZWRDBYVPNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-2-11-7-8-16-13(9-11)14(10-17)12-5-3-4-6-15(12)18-16/h7-9H,2-6,10H2,1H3.
What are the key properties of 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine?
9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine has a molecular weight of 304.23 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 82450473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).