N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine

C16H19FN2O — CID 82451066

IUPACN-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c2c(nc3c(F)cccc13)CCC2
InChIInChI=1S/C16H19FN2O/c1-20-9-8-18-10-13-11-4-3-7-15(11)19-16-12(13)5-2-6-14(16)17/h2,5-6,18H,3-4,7-10H2,1H3
InChIKeyVYNCBBKFHNNALR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.60
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine

N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine (PubChem CID 82451066) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
PubChem CID82451066
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c2c(nc3c(F)cccc13)CCC2
InChIInChI=1S/C16H19FN2O/c1-20-9-8-18-10-13-11-4-3-7-15(11)19-16-12(13)5-2-6-14(16)17/h2,5-6,18H,3-4,7-10H2,1H3
InChIKeyVYNCBBKFHNNALR-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]cyclopropanamine
CID 82451061
2-methoxy-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450542
N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
CID 82451155
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
1-(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82451087
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451152
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine (CID 82451066) is N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine is COCCNCc1c2c(nc3c(F)cccc13)CCC2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine?
The InChIKey is VYNCBBKFHNNALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-20-9-8-18-10-13-11-4-3-7-15(11)19-16-12(13)5-2-6-14(16)17/h2,5-6,18H,3-4,7-10H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine?
N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine has a molecular weight of 274.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82451066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).