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

C18H20BrNO — CID 63458022

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c1-14-12-15-4-2-3-5-18(15)20(13-14)10-11-21-17-8-6-16(19)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyMZJANCSSFSSIID-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.53
Rot. Bonds4

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

1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63458022) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID63458022
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c1-14-12-15-4-2-3-5-18(15)20(13-14)10-11-21-17-8-6-16(19)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyMZJANCSSFSSIID-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline (CID 63458022) is 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(CCOc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is MZJANCSSFSSIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-14-12-15-4-2-3-5-18(15)20(13-14)10-11-21-17-8-6-16(19)7-9-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline?
1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 346.27 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63458022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).