N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine

C18H22N2 — CID 125424059

IUPACN-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
SMILESc1ccc(CNCCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2/c1-2-6-15(7-3-1)14-19-13-11-17-9-4-8-16-10-5-12-20-18(16)17/h1-4,6-9,19-20H,5,10-14H2
InChIKeyXXFQAUAOAZAZLA-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine

N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine (PubChem CID 125424059) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
PubChem CID125424059
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
SMILESc1ccc(CNCCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2/c1-2-6-15(7-3-1)14-19-13-11-17-9-4-8-16-10-5-12-20-18(16)17/h1-4,6-9,19-20H,5,10-14H2
InChIKeyXXFQAUAOAZAZLA-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648841
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 80649711
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
CID 81423411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine?
The IUPAC name of N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine (CID 125424059) is N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine is c1ccc(CNCCc2cccc3c2NCCC3)cc1.
What is the InChIKey of N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine?
The InChIKey is XXFQAUAOAZAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-6-15(7-3-1)14-19-13-11-17-9-4-8-16-10-5-12-20-18(16)17/h1-4,6-9,19-20H,5,10-14H2.
What are the key properties of N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine?
N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine is sourced from PubChem (CID 125424059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).