(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C16H17BrN2 — CID 79745613

IUPAC(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1ccc(Br)cc1)C1CCCc2cccnc21
InChIInChI=1S/C16H17BrN2/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h2,4,6-10,14-15H,1,3,5,18H2
InChIKeyFFLHQFQXBIQEET-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.96
Rot. Bonds2

About (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79745613) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79745613
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(c1ccc(Br)cc1)C1CCCc2cccnc21
InChIInChI=1S/C16H17BrN2/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h2,4,6-10,14-15H,1,3,5,18H2
InChIKeyFFLHQFQXBIQEET-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79746303
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
furan-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748533
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007448
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79740454

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79745613) is (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is NC(c1ccc(Br)cc1)C1CCCc2cccnc21.
What is the InChIKey of (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is FFLHQFQXBIQEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h2,4,6-10,14-15H,1,3,5,18H2.
What are the key properties of (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79745613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).