1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline

C18H20BrNO — CID 60643831

IUPAC1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2CCOc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-14-7-8-18-15(12-14)4-3-9-20(18)10-11-21-17-6-2-5-16(19)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3
InChIKeyGGKVBVBTKXVPQH-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.59
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline

1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 60643831) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID60643831
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2CCOc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-14-7-8-18-15(12-14)4-3-9-20(18)10-11-21-17-6-2-5-16(19)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3
InChIKeyGGKVBVBTKXVPQH-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 60643830
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
1-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 65362287
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethylazepan-2-one
CID 65284195
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline (CID 60643831) is 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2CCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is GGKVBVBTKXVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-14-7-8-18-15(12-14)4-3-9-20(18)10-11-21-17-6-2-5-16(19)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline?
1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 346.27 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 60643831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).