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

C21H22N2O — CID 122199173

IUPACN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccccc1CNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H22N2O/c1-24-20-13-7-2-8-15(20)14-22-21-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)21/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,22,23)
InChIKeyXVJQPDOJCGVBAP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.73
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199173) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199173
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccccc1CNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H22N2O/c1-24-20-13-7-2-8-15(20)14-22-21-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)21/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,22,23)
InChIKeyXVJQPDOJCGVBAP-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
2-chloro-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460701
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-N'-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)heptane-1,7-diamine
CID 127035309
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
2-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
CID 71460116
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 51346906

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 122199173) is N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccccc1CNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XVJQPDOJCGVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-20-13-7-2-8-15(20)14-22-21-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)21/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,22,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 318.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).