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

C22H24N2O2 — CID 122199175

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1OC
InChIInChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)
InChIKeyFRMYHFABGOUZJS-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.74
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199175) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199175
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1OC
InChIInChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)
InChIKeyFRMYHFABGOUZJS-UHFFFAOYSA-N
XLogP4.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
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
Dimoxyline
CID 21878
Dubamine
CID 360322

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 122199175) is N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is FRMYHFABGOUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 348.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).