N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C17H19BrN2 — CID 81372732

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@@H](NC1CCCc2cccnc21)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2,4,6-8,10-12,16,20H,3,5,9H2,1H3/t12-,16?/m1/s1
InChIKeyYOICQZBVKYOPHV-ZGTOLYCTSA-N
MW331.26 g/mol
LogP4.57
Rot. Bonds3

About N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 81372732) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID81372732
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@@H](NC1CCCc2cccnc21)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2,4,6-8,10-12,16,20H,3,5,9H2,1H3/t12-,16?/m1/s1
InChIKeyYOICQZBVKYOPHV-ZGTOLYCTSA-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

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Related Compounds

N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774050
N-[1-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 106209453
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 81372732) is N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is C[C@@H](NC1CCCc2cccnc21)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is YOICQZBVKYOPHV-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2,4,6-8,10-12,16,20H,3,5,9H2,1H3/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(1R)-1-(3-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-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).