3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine

C11H14FN5 — CID 107111665

IUPAC3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nnnn2CCCN)c1F
InChIInChI=1S/C11H14FN5/c1-8-4-2-5-9(10(8)12)11-14-15-16-17(11)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3
InChIKeyMOWQHQRTBDONFZ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.14
Rot. Bonds4

About 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine

3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 107111665) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
PubChem CID107111665
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nnnn2CCCN)c1F
InChIInChI=1S/C11H14FN5/c1-8-4-2-5-9(10(8)12)11-14-15-16-17(11)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3
InChIKeyMOWQHQRTBDONFZ-UHFFFAOYSA-N
XLogP1.14
TPSA69.62 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butan-1-amine
CID 84759025
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
4-[5-(2,3-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541642

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine (CID 107111665) is 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine is Cc1cccc(-c2nnnn2CCCN)c1F.
What is the InChIKey of 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is MOWQHQRTBDONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-8-4-2-5-9(10(8)12)11-14-15-16-17(11)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3.
What are the key properties of 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 107111665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).