N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C17H19BrN2 — CID 79078990

IUPACN-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(NC1CCCc2cccnc21)c1ccccc1Br
InChIInChI=1S/C17H19BrN2/c1-12(14-8-2-3-9-15(14)18)20-16-10-4-6-13-7-5-11-19-17(13)16/h2-3,5,7-9,11-12,16,20H,4,6,10H2,1H3
InChIKeyGEHZTIBAUSCONW-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.57
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79078990) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79078990
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(NC1CCCc2cccnc21)c1ccccc1Br
InChIInChI=1S/C17H19BrN2/c1-12(14-8-2-3-9-15(14)18)20-16-10-4-6-13-7-5-11-19-17(13)16/h2-3,5,7-9,11-12,16,20H,4,6,10H2,1H3
InChIKeyGEHZTIBAUSCONW-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
N-[1-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 106209453
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
1-N,1-N-dimethyl-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,2-diamine
CID 82944895
N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 79078990) is N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is CC(NC1CCCc2cccnc21)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is GEHZTIBAUSCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12(14-8-2-3-9-15(14)18)20-16-10-4-6-13-7-5-11-19-17(13)16/h2-3,5,7-9,11-12,16,20H,4,6,10H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 331.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79078990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).