1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C16H18FN3 — CID 79748410

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(F)cn1)C1CCCc2cccnc21
InChIInChI=1S/C16H18FN3/c1-18-16(14-8-7-12(17)10-20-14)13-6-2-4-11-5-3-9-19-15(11)13/h3,5,7-10,13,16,18H,2,4,6H2,1H3
InChIKeyOWVCDAXOMLNLRB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79748410) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79748410
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(F)cn1)C1CCCc2cccnc21
InChIInChI=1S/C16H18FN3/c1-18-16(14-8-7-12(17)10-20-14)13-6-2-4-11-5-3-9-19-15(11)13/h3,5,7-10,13,16,18H,2,4,6H2,1H3
InChIKeyOWVCDAXOMLNLRB-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
[(5-chloro-2-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105251573
1-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748617
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164715
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106858088

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79748410) is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CNC(c1ccc(F)cn1)C1CCCc2cccnc21.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is OWVCDAXOMLNLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-18-16(14-8-7-12(17)10-20-14)13-6-2-4-11-5-3-9-19-15(11)13/h3,5,7-10,13,16,18H,2,4,6H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 271.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79748410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).