N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine

C17H21FN2 — CID 82451463

IUPACN-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c2c(nc3ccc(F)cc13)CCCC2
InChIInChI=1S/C17H21FN2/c1-11(2)19-10-15-13-5-3-4-6-16(13)20-17-8-7-12(18)9-14(15)17/h7-9,11,19H,3-6,10H2,1-2H3
InChIKeyOMQLHYKQVJNVPI-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.75
Rot. Bonds3

About N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine

N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine (PubChem CID 82451463) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
PubChem CID82451463
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c2c(nc3ccc(F)cc13)CCCC2
InChIInChI=1S/C17H21FN2/c1-11(2)19-10-15-13-5-3-4-6-16(13)20-17-8-7-12(18)9-14(15)17/h7-9,11,19H,3-6,10H2,1-2H3
InChIKeyOMQLHYKQVJNVPI-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82451478
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
CID 82450571
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]butan-2-amine
CID 82450310
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451889
N-[(2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450376
N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 53016227
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
N-[(6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450952

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine (CID 82451463) is N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine is CC(C)NCc1c2c(nc3ccc(F)cc13)CCCC2.
What is the InChIKey of N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
The InChIKey is OMQLHYKQVJNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-11(2)19-10-15-13-5-3-4-6-16(13)20-17-8-7-12(18)9-14(15)17/h7-9,11,19H,3-6,10H2,1-2H3.
What are the key properties of N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine?
N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine has a molecular weight of 272.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine is sourced from PubChem (CID 82451463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).