5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride

C12H14Cl3NO — CID 162314738

IUPAC5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride
SMILESCC(Oc1c(Cl)cccc1Cl)C1=NCCC1.Cl
InChIInChI=1S/C12H13Cl2NO.ClH/c1-8(11-6-3-7-15-11)16-12-9(13)4-2-5-10(12)14;/h2,4-5,8H,3,6-7H2,1H3;1H
InChIKeyIJVLVLDUYXAALV-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.42
Rot. Bonds3

About 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride

5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride (PubChem CID 162314738) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride.

Molecular Properties

Compound Name5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride
PubChem CID162314738
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride
SMILESCC(Oc1c(Cl)cccc1Cl)C1=NCCC1.Cl
InChIInChI=1S/C12H13Cl2NO.ClH/c1-8(11-6-3-7-15-11)16-12-9(13)4-2-5-10(12)14;/h2,4-5,8H,3,6-7H2,1H3;1H
InChIKeyIJVLVLDUYXAALV-UHFFFAOYSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 46851237
(2,6-dichlorophenoxy)-tri(propan-2-yl)silane
CID 54182108
7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 6933812
7-[1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2763509
(E)-3-[3-chloro-2-(1-phenylethoxy)phenyl]prop-2-enoic acid
CID 115957179
N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
CID 70632999
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
(E)-4-(2,6-dichlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 6157571
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
6-benzhydryl-2,3,4,5-tetrahydropyridine
CID 54250072
N-(2,6-dichlorophenyl)-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 617487
N-[[3-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride?
The IUPAC name of 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride (CID 162314738) is 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride.
What is the SMILES notation for 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride?
The canonical SMILES for 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride is CC(Oc1c(Cl)cccc1Cl)C1=NCCC1.Cl.
What is the InChIKey of 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride?
The InChIKey is IJVLVLDUYXAALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO.ClH/c1-8(11-6-3-7-15-11)16-12-9(13)4-2-5-10(12)14;/h2,4-5,8H,3,6-7H2,1H3;1H.
What are the key properties of 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride?
5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride has a molecular weight of 294.61 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride is sourced from PubChem (CID 162314738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).