N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine

C18H24N2O — CID 82451889

IUPACN-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
SMILESCOc1cccc2c(CNC(C)C)c3c(nc12)CCCC3
InChIInChI=1S/C18H24N2O/c1-12(2)19-11-15-13-7-4-5-9-16(13)20-18-14(15)8-6-10-17(18)21-3/h6,8,10,12,19H,4-5,7,9,11H2,1-3H3
InChIKeyWJIGVPVXUFHSSI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds4

About N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine

N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine (PubChem CID 82451889) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
PubChem CID82451889
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
SMILESCOc1cccc2c(CNC(C)C)c3c(nc12)CCCC3
InChIInChI=1S/C18H24N2O/c1-12(2)19-11-15-13-7-4-5-9-16(13)20-18-14(15)8-6-10-17(18)21-3/h6,8,10,12,19H,4-5,7,9,11H2,1-3H3
InChIKeyWJIGVPVXUFHSSI-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine (CID 82451889) is N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine is COc1cccc2c(CNC(C)C)c3c(nc12)CCCC3.
What is the InChIKey of N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The InChIKey is WJIGVPVXUFHSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)19-11-15-13-7-4-5-9-16(13)20-18-14(15)8-6-10-17(18)21-3/h6,8,10,12,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine is sourced from PubChem (CID 82451889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).