1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C10H11F2N5 — CID 107042414

IUPAC1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCc2cc(F)ccc2F)n1
InChIInChI=1S/C10H11F2N5/c1-17-15-10(14-16-17)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyUZTGPCPFMMRNJD-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.78
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine

1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 107042414) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID107042414
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCc2cc(F)ccc2F)n1
InChIInChI=1S/C10H11F2N5/c1-17-15-10(14-16-17)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyUZTGPCPFMMRNJD-UHFFFAOYSA-N
XLogP0.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride
CID 126966346
[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066099
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
N-[(2-fluoro-5-methylphenyl)methyl]-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 113254355
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 107042414) is 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cn1nnc(CNCc2cc(F)ccc2F)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is UZTGPCPFMMRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-17-15-10(14-16-17)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 239.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107042414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).