2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline

C10H12FN5 — CID 18348940

IUPAC2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline
SMILESFc1ccccc1NCCCn1ncnn1
InChIInChI=1S/C10H12FN5/c11-9-4-1-2-5-10(9)12-6-3-7-16-14-8-13-15-16/h1-2,4-5,8,12H,3,6-7H2
InChIKeyKBVKRAOSTSUPBX-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.31
Rot. Bonds5

About 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline

2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline (PubChem CID 18348940) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline
PubChem CID18348940
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline
SMILESFc1ccccc1NCCCn1ncnn1
InChIInChI=1S/C10H12FN5/c11-9-4-1-2-5-10(9)12-6-3-7-16-14-8-13-15-16/h1-2,4-5,8,12H,3,6-7H2
InChIKeyKBVKRAOSTSUPBX-UHFFFAOYSA-N
XLogP1.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
N-phenyl-2-propyltetrazol-5-amine
CID 168297449
3-Fluorophenyl-(3-tetrazol-2-yl-propyl)-amine
CID 18348927
4-fluoro-N-[3-(1,2,4-triazol-1-yl)propyl]aniline
CID 18349057
4-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline
CID 18349108
4-fluoro-1-N-[2-(tetrazol-1-yl)ethyl]benzene-1,2-diamine
CID 23517109
N-[2-fluoro-3-(tetrazol-2-yl)propyl]aniline
CID 53905412
N-[3-(1-fluoro-2H-tetrazol-3-yl)propyl]aniline
CID 53986634
N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline
CID 54092324
3,5-Difluoro-4-[3-(tetrazol-2-yl)pyrrolidin-1-yl]aniline
CID 58296073
3,5-Difluoro-4-[2-(tetrazol-2-yl)pyrrolidin-1-yl]aniline
CID 67187093
4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 69214563

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline?
The IUPAC name of 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline (CID 18348940) is 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline.
What is the SMILES notation for 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline?
The canonical SMILES for 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline is Fc1ccccc1NCCCn1ncnn1.
What is the InChIKey of 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline?
The InChIKey is KBVKRAOSTSUPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c11-9-4-1-2-5-10(9)12-6-3-7-16-14-8-13-15-16/h1-2,4-5,8,12H,3,6-7H2.
What are the key properties of 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline?
2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline has a molecular weight of 221.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline is sourced from PubChem (CID 18348940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).