N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C23H26N2O2 — CID 22023

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1OC
InChIInChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25)
InChIKeyCWOSTJOZRVRLJV-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 22023) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID22023
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1OC
InChIInChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25)
InChIKeyCWOSTJOZRVRLJV-UHFFFAOYSA-N
XLogP4.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Papaverine
CID 4680
Moxaverine
CID 70882
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
7-Methoxytacrine
CID 119053
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
Graveolinine
CID 11044132
2-(4-Methoxyphenyl)quinoline
CID 1481967
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
CID 3025617
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 22023) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is CWOSTJOZRVRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 362.47 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 22023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).