1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine

C12H16FN5 — CID 114829652

IUPAC1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)c1nn[nH]n1
InChIInChI=1S/C12H16FN5/c1-8(7-10-3-5-11(13)6-4-10)14-9(2)12-15-17-18-16-12/h3-6,8-9,14H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyWBMCCUWAABQYEL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.62
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine

1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine (PubChem CID 114829652) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
PubChem CID114829652
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)c1nn[nH]n1
InChIInChI=1S/C12H16FN5/c1-8(7-10-3-5-11(13)6-4-10)14-9(2)12-15-17-18-16-12/h3-6,8-9,14H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyWBMCCUWAABQYEL-UHFFFAOYSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine
CID 116534707
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 45251703
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63463078
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine (CID 114829652) is 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine is CC(Cc1ccc(F)cc1)NC(C)c1nn[nH]n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is WBMCCUWAABQYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-8(7-10-3-5-11(13)6-4-10)14-9(2)12-15-17-18-16-12/h3-6,8-9,14H,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114829652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).