4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine

C20H21Cl2N5O2 — CID 23019978

IUPAC4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESClc1cccc(-c2nnnn2Cc2ccccc2OCCN2CCOCC2)c1Cl
InChIInChI=1S/C20H21Cl2N5O2/c21-17-6-3-5-16(19(17)22)20-23-24-25-27(20)14-15-4-1-2-7-18(15)29-13-10-26-8-11-28-12-9-26/h1-7H,8-14H2
InChIKeyXJQOSHUHPISHSF-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.41
Rot. Bonds7

About 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 23019978) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID23019978
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC Name4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESClc1cccc(-c2nnnn2Cc2ccccc2OCCN2CCOCC2)c1Cl
InChIInChI=1S/C20H21Cl2N5O2/c21-17-6-3-5-16(19(17)22)20-23-24-25-27(20)14-15-4-1-2-7-18(15)29-13-10-26-8-11-28-12-9-26/h1-7H,8-14H2
InChIKeyXJQOSHUHPISHSF-UHFFFAOYSA-N
XLogP3.41
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
CID 23019879
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
CID 18693316
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine (CID 23019978) is 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine is Clc1cccc(-c2nnnn2Cc2ccccc2OCCN2CCOCC2)c1Cl.
What is the InChIKey of 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is XJQOSHUHPISHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c21-17-6-3-5-16(19(17)22)20-23-24-25-27(20)14-15-4-1-2-7-18(15)29-13-10-26-8-11-28-12-9-26/h1-7H,8-14H2.
What are the key properties of 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 434.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 23019978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).