N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C17H20N2 — CID 81351385

IUPACN-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10,12-13,16,19H,5,9,11H2,1H3/t13-,16?/m0/s1
InChIKeyVLPJRFUPDMRFOL-KNVGNIICSA-N
MW252.36 g/mol
LogP3.81
Rot. Bonds3

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

N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 81351385) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID81351385
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10,12-13,16,19H,5,9,11H2,1H3/t13-,16?/m0/s1
InChIKeyVLPJRFUPDMRFOL-KNVGNIICSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
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-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 81351385) is N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine is C[C@H](NC1CCCc2cccnc21)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is VLPJRFUPDMRFOL-KNVGNIICSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10,12-13,16,19H,5,9,11H2,1H3/t13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 252.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81351385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).