1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine

C11H12Cl2FN5 — CID 103086766

IUPAC1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FN5/c1-3-15-6(2)11-16-17-18-19(11)10-8(12)4-7(14)5-9(10)13/h4-6,15H,3H2,1-2H3
InChIKeyHDLPWIXQCSZCCS-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103086766) has the molecular formula C11H12Cl2FN5 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103086766
Molecular FormulaC11H12Cl2FN5
Molecular Weight304.16 g/mol
Exact Mass303.05
IUPAC Name1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FN5/c1-3-15-6(2)11-16-17-18-19(11)10-8(12)4-7(14)5-9(10)13/h4-6,15H,3H2,1-2H3
InChIKeyHDLPWIXQCSZCCS-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
1-(2-chloro-4,6-difluorophenyl)-5-(1-chloroethyl)tetrazole
CID 103084640
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
N-[1-[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085153
1-[1-(2-bromo-6-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107615515
5-(1-chloroethyl)-1-(2,4,6-trifluorophenyl)tetrazole
CID 103084581
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 107794149
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085373

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine (CID 103086766) is 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is HDLPWIXQCSZCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN5/c1-3-15-6(2)11-16-17-18-19(11)10-8(12)4-7(14)5-9(10)13/h4-6,15H,3H2,1-2H3.
What are the key properties of 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 304.16 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103086766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).