N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine

C11H14FN5 — CID 62736639

IUPACN-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(C)cc1F
InChIInChI=1S/C11H14FN5/c1-3-13-7-11-14-15-16-17(11)10-5-4-8(2)6-9(10)12/h4-6,13H,3,7H2,1-2H3
InChIKeyVMMZBICWNCEUIW-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.22
Rot. Bonds4

About N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736639) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736639
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC NameN-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(C)cc1F
InChIInChI=1S/C11H14FN5/c1-3-13-7-11-14-15-16-17(11)10-5-4-8(2)6-9(10)12/h4-6,13H,3,7H2,1-2H3
InChIKeyVMMZBICWNCEUIW-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62809896
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107646049
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
3-fluoro-4-(5-propyltetrazol-1-yl)benzoic acid
CID 63189878
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[[1-(2-methyl-3-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107811053
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 113445682
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine (CID 62736639) is N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1ccc(C)cc1F.
What is the InChIKey of N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is VMMZBICWNCEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-3-13-7-11-14-15-16-17(11)10-5-4-8(2)6-9(10)12/h4-6,13H,3,7H2,1-2H3.
What are the key properties of N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 235.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).