2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol

C17H20N2O2 — CID 80649181

IUPAC2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
SMILESCOc1ccc(NCc2cccc3c2NCCC3)cc1O
InChIInChI=1S/C17H20N2O2/c1-21-16-8-7-14(10-15(16)20)19-11-13-5-2-4-12-6-3-9-18-17(12)13/h2,4-5,7-8,10,18-20H,3,6,9,11H2,1H3
InChIKeyFQFSZPFEKZLWQE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds4

About 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol

2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol (PubChem CID 80649181) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
PubChem CID80649181
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
SMILESCOc1ccc(NCc2cccc3c2NCCC3)cc1O
InChIInChI=1S/C17H20N2O2/c1-21-16-8-7-14(10-15(16)20)19-11-13-5-2-4-12-6-3-9-18-17(12)13/h2,4-5,7-8,10,18-20H,3,6,9,11H2,1H3
InChIKeyFQFSZPFEKZLWQE-UHFFFAOYSA-N
XLogP3.37
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
CID 81423062
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649508
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 83078170

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol?
The IUPAC name of 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol (CID 80649181) is 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol.
What is the SMILES notation for 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol?
The canonical SMILES for 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol is COc1ccc(NCc2cccc3c2NCCC3)cc1O.
What is the InChIKey of 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol?
The InChIKey is FQFSZPFEKZLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-8-7-14(10-15(16)20)19-11-13-5-2-4-12-6-3-9-18-17(12)13/h2,4-5,7-8,10,18-20H,3,6,9,11H2,1H3.
What are the key properties of 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol?
2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol has a molecular weight of 284.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol is sourced from PubChem (CID 80649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).