1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

C17H20N2 — CID 79745553

IUPAC1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESCC(N)(c1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C17H20N2/c1-17(18,14-9-3-2-4-10-14)15-11-5-7-13-8-6-12-19-16(13)15/h2-4,6,8-10,12,15H,5,7,11,18H2,1H3
InChIKeyMYEZVNOELOFUSR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.38
Rot. Bonds2

About 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (PubChem CID 79745553) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
PubChem CID79745553
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESCC(N)(c1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C17H20N2/c1-17(18,14-9-3-2-4-10-14)15-11-5-7-13-8-6-12-19-16(13)15/h2-4,6,8-10,12,15H,5,7,11,18H2,1H3
InChIKeyMYEZVNOELOFUSR-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(4-methylphenyl)ethanamine
CID 79745712
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
CID 79745140
8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79738706
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
1-(cyclopropylamino)-2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79738513
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
CID 83075608
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The IUPAC name of 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (CID 79745553) is 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.
What is the SMILES notation for 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The canonical SMILES for 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is CC(N)(c1ccccc1)C1CCCc2cccnc21.
What is the InChIKey of 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The InChIKey is MYEZVNOELOFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(18,14-9-3-2-4-10-14)15-11-5-7-13-8-6-12-19-16(13)15/h2-4,6,8-10,12,15H,5,7,11,18H2,1H3.
What are the key properties of 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is sourced from PubChem (CID 79745553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).