3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine

C18H21ClN2 — CID 21382

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IUPAC3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN2/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3
InChIKeyJFRLWWDJCFYFSU-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.87
Rot. Bonds4

About 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine

3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine (PubChem CID 21382) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine
PubChem CID21382
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN2/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3
InChIKeyJFRLWWDJCFYFSU-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine (CID 21382) is 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is JFRLWWDJCFYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3.
What are the key properties of 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine?
3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 300.83 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 21382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).