4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol

C17H20N2O — CID 62094965

IUPAC4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
SMILESCN1CCCc2cc(CNc3ccc(O)cc3)ccc21
InChIInChI=1S/C17H20N2O/c1-19-10-2-3-14-11-13(4-9-17(14)19)12-18-15-5-7-16(20)8-6-15/h4-9,11,18,20H,2-3,10,12H2,1H3
InChIKeyLCYKSUMJOQHMJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds3

About 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol

4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol (PubChem CID 62094965) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
PubChem CID62094965
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
SMILESCN1CCCc2cc(CNc3ccc(O)cc3)ccc21
InChIInChI=1S/C17H20N2O/c1-19-10-2-3-14-11-13(4-9-17(14)19)12-18-15-5-7-16(20)8-6-15/h4-9,11,18,20H,2-3,10,12H2,1H3
InChIKeyLCYKSUMJOQHMJN-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
CID 62097365
3-ethynyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62072233
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol?
The IUPAC name of 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol (CID 62094965) is 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol.
What is the SMILES notation for 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol?
The canonical SMILES for 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol is CN1CCCc2cc(CNc3ccc(O)cc3)ccc21.
What is the InChIKey of 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol?
The InChIKey is LCYKSUMJOQHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-10-2-3-14-11-13(4-9-17(14)19)12-18-15-5-7-16(20)8-6-15/h4-9,11,18,20H,2-3,10,12H2,1H3.
What are the key properties of 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol?
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol is sourced from PubChem (CID 62094965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).