(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C16H16BrFN2 — CID 105007461

IUPAC(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1cccc(F)c1Br)C1CCCc2cccnc21
InChIInChI=1S/C16H16BrFN2/c17-14-11(6-2-8-13(14)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h2-3,5-6,8-9,12,15H,1,4,7,19H2
InChIKeyIMMVPIIGCQVECW-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.10
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 105007461) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID105007461
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1cccc(F)c1Br)C1CCCc2cccnc21
InChIInChI=1S/C16H16BrFN2/c17-14-11(6-2-8-13(14)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h2-3,5-6,8-9,12,15H,1,4,7,19H2
InChIKeyIMMVPIIGCQVECW-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

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Related Compounds

(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007448
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899
[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 107986108
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79746303
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylphenyl)methanamine
CID 79748906
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 105007461) is (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is NC(c1cccc(F)c1Br)C1CCCc2cccnc21.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is IMMVPIIGCQVECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c17-14-11(6-2-8-13(14)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h2-3,5-6,8-9,12,15H,1,4,7,19H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(2-bromo-3-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-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 105007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).