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

C17H20N2O — CID 82537025

IUPACN-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1cccc(Nc2ccc3c(c2)CCCN3C)c1
InChIInChI=1S/C17H20N2O/c1-19-10-4-5-13-11-15(8-9-17(13)19)18-14-6-3-7-16(12-14)20-2/h3,6-9,11-12,18H,4-5,10H2,1-2H3
InChIKeyKEIIVEOKPKEPHB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds3

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

N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 82537025) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID82537025
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1cccc(Nc2ccc3c(c2)CCCN3C)c1
InChIInChI=1S/C17H20N2O/c1-19-10-4-5-13-11-15(8-9-17(13)19)18-14-6-3-7-16(12-14)20-2/h3,6-9,11-12,18H,4-5,10H2,1-2H3
InChIKeyKEIIVEOKPKEPHB-UHFFFAOYSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538735
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 140666668
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
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 82537025) is N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine is COc1cccc(Nc2ccc3c(c2)CCCN3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is KEIIVEOKPKEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-10-4-5-13-11-15(8-9-17(13)19)18-14-6-3-7-16(12-14)20-2/h3,6-9,11-12,18H,4-5,10H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 268.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 82537025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).