6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine

C13H16BrNO — CID 18421621

IUPAC6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine
SMILESCCOC1CCC=C(c2ccc(Br)cc2)N1
InChIInChI=1S/C13H16BrNO/c1-2-16-13-5-3-4-12(15-13)10-6-8-11(14)9-7-10/h4,6-9,13,15H,2-3,5H2,1H3
InChIKeyLNOWACCLVYBCIH-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.54
Rot. Bonds3

About 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine

6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine (PubChem CID 18421621) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine
PubChem CID18421621
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine
SMILESCCOC1CCC=C(c2ccc(Br)cc2)N1
InChIInChI=1S/C13H16BrNO/c1-2-16-13-5-3-4-12(15-13)10-6-8-11(14)9-7-10/h4,6-9,13,15H,2-3,5H2,1H3
InChIKeyLNOWACCLVYBCIH-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 4-bromo-N-butyl-
CID 485403
N-Pentyl-p-bromobenzylamine
CID 1814799
N-(4-bromobenzyl)-N-hexylamine
CID 1814797
2-[(4-Bromobenzyl)amino]-1-butanol hydrochloride
CID 6458793
2-{[(4-Bromophenyl)methyl]amino}butan-1-ol
CID 4715988
(3-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850413
(2-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850590
2-[(4-Bromobenzyl)amino]-2-methyl-1-propanol
CID 834068
N-[(4-bromo-3-fluorophenyl)methyl]-1-propoxypropan-2-amine
CID 91074179
[(3-Bromophenyl)methyl](3-ethoxypropyl)amine
CID 4105930
N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine
CID 2850634
4-[(4-Bromophenyl)methylamino]butan-1-ol
CID 1814783

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine (CID 18421621) is 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine is CCOC1CCC=C(c2ccc(Br)cc2)N1.
What is the InChIKey of 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is LNOWACCLVYBCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-2-16-13-5-3-4-12(15-13)10-6-8-11(14)9-7-10/h4,6-9,13,15H,2-3,5H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine?
6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine has a molecular weight of 282.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 18421621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).