(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C16H16BrFN2 — CID 105007448

IUPAC(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1cc(F)ccc1Br)C1CCCc2cccnc21
InChIInChI=1S/C16H16BrFN2/c17-14-7-6-11(18)9-13(14)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h2,4,6-9,12,15H,1,3,5,19H2
InChIKeyXQCQTZUIZOZDCG-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.10
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 105007448) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID105007448
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1cc(F)ccc1Br)C1CCCc2cccnc21
InChIInChI=1S/C16H16BrFN2/c17-14-7-6-11(18)9-13(14)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h2,4,6-9,12,15H,1,3,5,19H2
InChIKeyXQCQTZUIZOZDCG-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine with MolForge

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Related Compounds

(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
[(2-chloro-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105215470
2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79732033
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899
(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79746303
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
furan-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748533

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 105007448) is (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is NC(c1cc(F)ccc1Br)C1CCCc2cccnc21.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is XQCQTZUIZOZDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c17-14-7-6-11(18)9-13(14)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h2,4,6-9,12,15H,1,3,5,19H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 335.22 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 105007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).