4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine

C18H17Cl2N5O — CID 3573370

IUPAC4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2
InChIKeyUNCCZQCWRLTLND-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.39
Rot. Bonds4

About 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine

4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3573370) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
PubChem CID3573370
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2
InChIKeyUNCCZQCWRLTLND-UHFFFAOYSA-N
XLogP3.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
CID 122174373
4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
CID 30104890
1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
CID 122174375
4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
CID 7278290
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 1444196
6-[(2-chlorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 42651183
1-[(S)-(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1447390
4-[[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-(4-nitrophenyl)methyl]morpholine
CID 171982046
ethyl 4-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]benzoate
CID 7242064
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006
1-(3-chlorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668302
4-[(R)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250840

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine (CID 3573370) is 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine is Clc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is UNCCZQCWRLTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c19-13-4-3-5-14(12-13)25-18(21-22-23-25)17(24-8-10-26-11-9-24)15-6-1-2-7-16(15)20/h1-7,12,17H,8-11H2.
What are the key properties of 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 390.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3573370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).