1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine

C11H14FN5 — CID 112676980

IUPAC1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C11H14FN5/c1-2-10(8-5-3-4-6-9(8)12)13-7-11-14-16-17-15-11/h3-6,10,13H,2,7H2,1H3,(H,14,15,16,17)
InChIKeyITXGQMHXWGZGLK-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.58
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine

1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine (PubChem CID 112676980) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
PubChem CID112676980
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C11H14FN5/c1-2-10(8-5-3-4-6-9(8)12)13-7-11-14-16-17-15-11/h3-6,10,13H,2,7H2,1H3,(H,14,15,16,17)
InChIKeyITXGQMHXWGZGLK-UHFFFAOYSA-N
XLogP1.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine (CID 112676980) is 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine is CCC(NCc1nn[nH]n1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine?
The InChIKey is ITXGQMHXWGZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-2-10(8-5-3-4-6-9(8)12)13-7-11-14-16-17-15-11/h3-6,10,13H,2,7H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine?
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 112676980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).