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

C17H19ClN2 — CID 81377678

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2/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/t12-,16?/m0/s1
InChIKeyRYMSNAURRZODKY-HKALDPMFSA-N
MW286.81 g/mol
LogP4.46
Rot. Bonds3

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

N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 81377678) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID81377678
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2/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/t12-,16?/m0/s1
InChIKeyRYMSNAURRZODKY-HKALDPMFSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
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-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 81377678) is N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is C[C@H](NC1CCCc2cccnc21)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RYMSNAURRZODKY-HKALDPMFSA-N. The full InChI is InChI=1S/C17H19ClN2/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/t12-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 286.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81377678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).