1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine

C11H13F2N5 — CID 103085100

IUPAC1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N5/c1-3-14-7(2)11-15-16-17-18(11)10-5-4-8(12)6-9(10)13/h4-7,14H,3H2,1-2H3
InChIKeyUEAUEQLEKACMBL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.61
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103085100) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103085100
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N5/c1-3-14-7(2)11-15-16-17-18(11)10-5-4-8(12)6-9(10)13/h4-7,14H,3H2,1-2H3
InChIKeyUEAUEQLEKACMBL-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 107794149
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-[1-[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085153
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine (CID 103085100) is 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1-c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is UEAUEQLEKACMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-3-14-7(2)11-15-16-17-18(11)10-5-4-8(12)6-9(10)13/h4-7,14H,3H2,1-2H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 253.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103085100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).