1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine

C11H14FN5O — CID 113399822

IUPAC1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2nnnc2CNC)cc1F
InChIInChI=1S/C11H14FN5O/c1-3-18-10-5-4-8(6-9(10)12)17-11(7-13-2)14-15-16-17/h4-6,13H,3,7H2,1-2H3
InChIKeyLWXMBAJIPMGHCO-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.92
Rot. Bonds5

About 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 113399822) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID113399822
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2nnnc2CNC)cc1F
InChIInChI=1S/C11H14FN5O/c1-3-18-10-5-4-8(6-9(10)12)17-11(7-13-2)14-15-16-17/h4-6,13H,3,7H2,1-2H3
InChIKeyLWXMBAJIPMGHCO-UHFFFAOYSA-N
XLogP0.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
CID 82228131
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-methyl-1-(1-naphthalen-2-yltetrazol-5-yl)methanamine
CID 55108826
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16820039
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine (CID 113399822) is 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine is CCOc1ccc(-n2nnnc2CNC)cc1F.
What is the InChIKey of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is LWXMBAJIPMGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-18-10-5-4-8(6-9(10)12)17-11(7-13-2)14-15-16-17/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 251.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113399822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).