1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine

C10H11ClFN5 — CID 83069464

IUPAC1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1nn[nH]n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFN5/c1-6(13-5-10-14-16-17-15-10)7-2-3-8(11)9(12)4-7/h2-4,6,13H,5H2,1H3,(H,14,15,16,17)
InChIKeyNHSSUAJAJREDFK-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine

1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine (PubChem CID 83069464) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
PubChem CID83069464
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1nn[nH]n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFN5/c1-6(13-5-10-14-16-17-15-10)7-2-3-8(11)9(12)4-7/h2-4,6,13H,5H2,1H3,(H,14,15,16,17)
InChIKeyNHSSUAJAJREDFK-UHFFFAOYSA-N
XLogP1.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine 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

1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 82994274
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694
(E)-N-[1-(4-chloro-3-fluorophenyl)ethyl]pent-3-en-1-amine
CID 115890259
N-[1-(4-chloro-3-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82994703
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141596
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine (CID 83069464) is 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine is CC(NCc1nn[nH]n1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine?
The InChIKey is NHSSUAJAJREDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c1-6(13-5-10-14-16-17-15-10)7-2-3-8(11)9(12)4-7/h2-4,6,13H,5H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine has a molecular weight of 255.68 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 83069464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).