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

C14H20FN5 — CID 103085348

IUPACN-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCc1ccccc1F
InChIInChI=1S/C14H20FN5/c1-3-9-16-11(2)14-17-18-19-20(14)10-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeySMIYRNBYVPBPMR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.12
Rot. Bonds7

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

N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085348) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085348
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCc1ccccc1F
InChIInChI=1S/C14H20FN5/c1-3-9-16-11(2)14-17-18-19-20(14)10-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeySMIYRNBYVPBPMR-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 107603626
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine (CID 103085348) is N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1CCc1ccccc1F.
What is the InChIKey of N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is SMIYRNBYVPBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-3-9-16-11(2)14-17-18-19-20(14)10-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).