N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

C21H22N2O — CID 10710689

IUPACN-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C21H22N2O/c1-24-16-11-12-20-18(13-16)21(17-9-5-6-10-19(17)23-20)22-14-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyHCHOMMYWSNIMIN-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10710689) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10710689
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C21H22N2O/c1-24-16-11-12-20-18(13-16)21(17-9-5-6-10-19(17)23-20)22-14-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyHCHOMMYWSNIMIN-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-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
N-ethyl-7-phenylmethoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 113232551
1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine
CID 167797981
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
CID 166382730
N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 167913440
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 166636017
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 122199173
N',N'-dibutyl-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;phosphoric acid
CID 54601219
5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione
CID 118721628

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (CID 10710689) is N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3.
What is the InChIKey of N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is HCHOMMYWSNIMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-16-11-12-20-18(13-16)21(17-9-5-6-10-19(17)23-20)22-14-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23).
What are the key properties of N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
N-benzyl-7-methoxy-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-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10710689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).