N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

C19H24N2O — CID 82538735

IUPACN-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1ccc(C(C)Nc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H24N2O/c1-14(15-6-9-18(22-3)10-7-15)20-17-8-11-19-16(13-17)5-4-12-21(19)2/h6-11,13-14,20H,4-5,12H2,1-3H3
InChIKeyVPMISYLLKAFPGU-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.25
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 82538735) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID82538735
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1ccc(C(C)Nc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H24N2O/c1-14(15-6-9-18(22-3)10-7-15)20-17-8-11-19-16(13-17)5-4-12-21(19)2/h6-11,13-14,20H,4-5,12H2,1-3H3
InChIKeyVPMISYLLKAFPGU-UHFFFAOYSA-N
XLogP4.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.25
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

4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452277
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
N'-[(1R)-1-(2-methoxyphenyl)ethyl]-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 95053274

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 82538735) is N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is COc1ccc(C(C)Nc2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is VPMISYLLKAFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(15-6-9-18(22-3)10-7-15)20-17-8-11-19-16(13-17)5-4-12-21(19)2/h6-11,13-14,20H,4-5,12H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 296.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 82538735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).