2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

C18H22N2O — CID 80648722

IUPAC2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESc1ccc(OCCNCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-9-17(10-3-1)21-13-12-19-14-16-7-4-6-15-8-5-11-20-18(15)16/h1-4,6-7,9-10,19-20H,5,8,11-14H2
InChIKeyKWQCAMYAMIXJJH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.21
Rot. Bonds6

About 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (PubChem CID 80648722) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
PubChem CID80648722
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESc1ccc(OCCNCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-9-17(10-3-1)21-13-12-19-14-16-7-4-6-15-8-5-11-20-18(15)16/h1-4,6-7,9-10,19-20H,5,8,11-14H2
InChIKeyKWQCAMYAMIXJJH-UHFFFAOYSA-N
XLogP3.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine 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

3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 80649711
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (CID 80648722) is 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is c1ccc(OCCNCc2cccc3c2NCCC3)cc1.
What is the InChIKey of 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The InChIKey is KWQCAMYAMIXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-9-17(10-3-1)21-13-12-19-14-16-7-4-6-15-8-5-11-20-18(15)16/h1-4,6-7,9-10,19-20H,5,8,11-14H2.
What are the key properties of 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 80648722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).