N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine

C16H18N2S — CID 79079351

IUPACN-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCSc1ccccc1NC1CCCc2cccnc21
InChIInChI=1S/C16H18N2S/c1-19-15-10-3-2-8-13(15)18-14-9-4-6-12-7-5-11-17-16(12)14/h2-3,5,7-8,10-11,14,18H,4,6,9H2,1H3
InChIKeyUFGYSHRKXQYGIX-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.29
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079351) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079351
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCSc1ccccc1NC1CCCc2cccnc21
InChIInChI=1S/C16H18N2S/c1-19-15-10-3-2-8-13(15)18-14-9-4-6-12-7-5-11-17-16(12)14/h2-3,5,7-8,10-11,14,18H,4,6,9H2,1H3
InChIKeyUFGYSHRKXQYGIX-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079954
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
3-fluoro-4-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079890
4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
CID 79079889
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079351) is N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is CSc1ccccc1NC1CCCc2cccnc21.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is UFGYSHRKXQYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-19-15-10-3-2-8-13(15)18-14-9-4-6-12-7-5-11-17-16(12)14/h2-3,5,7-8,10-11,14,18H,4,6,9H2,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 270.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).