1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine

C20H26N2O — CID 110452960

IUPAC1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(OC(C)(C)C)cc3)ccc21
InChIInChI=1S/C20H26N2O/c1-20(2,3)23-18-10-7-16(8-11-18)21-17-9-12-19-15(14-17)6-5-13-22(19)4/h7-12,14,21H,5-6,13H2,1-4H3
InChIKeyYGWUOYABQPLNFE-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.99
Rot. Bonds3

About 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine

1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 110452960) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
PubChem CID110452960
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(OC(C)(C)C)cc3)ccc21
InChIInChI=1S/C20H26N2O/c1-20(2,3)23-18-10-7-16(8-11-18)21-17-9-12-19-15(14-17)6-5-13-22(19)4/h7-12,14,21H,5-6,13H2,1-4H3
InChIKeyYGWUOYABQPLNFE-UHFFFAOYSA-N
XLogP4.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 140666668
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452277
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538735
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine (CID 110452960) is 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine is CN1CCCc2cc(Nc3ccc(OC(C)(C)C)cc3)ccc21.
What is the InChIKey of 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is YGWUOYABQPLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)23-18-10-7-16(8-11-18)21-17-9-12-19-15(14-17)6-5-13-22(19)4/h7-12,14,21H,5-6,13H2,1-4H3.
What are the key properties of 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine?
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 310.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 110452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).