1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine

C21H28N2O2 — CID 110447821

IUPAC1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)c(-c2ccc3c(c2)CCCN3C)c1
InChIInChI=1S/C21H28N2O2/c1-14(22-2)17-12-18(21(25-5)20(13-17)24-4)15-8-9-19-16(11-15)7-6-10-23(19)3/h8-9,11-14,22H,6-7,10H2,1-5H3
InChIKeyFJEGFOPDLFGCRB-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.03
Rot. Bonds5

About 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine

1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine (PubChem CID 110447821) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine
PubChem CID110447821
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)c(-c2ccc3c(c2)CCCN3C)c1
InChIInChI=1S/C21H28N2O2/c1-14(22-2)17-12-18(21(25-5)20(13-17)24-4)15-8-9-19-16(11-15)7-6-10-23(19)3/h8-9,11-14,22H,6-7,10H2,1-5H3
InChIKeyFJEGFOPDLFGCRB-UHFFFAOYSA-N
XLogP4.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538735
1-[3,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-N-methylethanamine
CID 110447814
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662004
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 82541625
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
CID 110447754
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
CID 10948528
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661997
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine (CID 110447821) is 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(OC)c(OC)c(-c2ccc3c(c2)CCCN3C)c1.
What is the InChIKey of 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine?
The InChIKey is FJEGFOPDLFGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(22-2)17-12-18(21(25-5)20(13-17)24-4)15-8-9-19-16(11-15)7-6-10-23(19)3/h8-9,11-14,22H,6-7,10H2,1-5H3.
What are the key properties of 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine?
1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine has a molecular weight of 340.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 110447821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).