1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine

C16H20N2O — CID 82451910

IUPAC1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)c3c(nc12)CCCC3
InChIInChI=1S/C16H20N2O/c1-10(17)15-11-6-3-4-8-13(11)18-16-12(15)7-5-9-14(16)19-2/h5,7,9-10H,3-4,6,8,17H2,1-2H3
InChIKeySYYMOEVNOSZQRF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.14
Rot. Bonds2

About 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine

1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine (PubChem CID 82451910) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
PubChem CID82451910
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)c3c(nc12)CCCC3
InChIInChI=1S/C16H20N2O/c1-10(17)15-11-6-3-4-8-13(11)18-16-12(15)7-5-9-14(16)19-2/h5,7,9-10H,3-4,6,8,17H2,1-2H3
InChIKeySYYMOEVNOSZQRF-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The IUPAC name of 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine (CID 82451910) is 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine.
What is the SMILES notation for 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The canonical SMILES for 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine is COc1cccc2c(C(C)N)c3c(nc12)CCCC3.
What is the InChIKey of 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The InChIKey is SYYMOEVNOSZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10(17)15-11-6-3-4-8-13(11)18-16-12(15)7-5-9-14(16)19-2/h5,7,9-10H,3-4,6,8,17H2,1-2H3.
What are the key properties of 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine is sourced from PubChem (CID 82451910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).