4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline

C14H18FN5O — CID 106003099

IUPAC4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESNc1ccc(F)cc1-c1nnnn1CCC1CCCCO1
InChIInChI=1S/C14H18FN5O/c15-10-4-5-13(16)12(9-10)14-17-18-19-20(14)7-6-11-3-1-2-8-21-11/h4-5,9,11H,1-3,6-8,16H2
InChIKeyBFIGBSBECUCXDD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.02
Rot. Bonds4

About 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline

4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline (PubChem CID 106003099) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
PubChem CID106003099
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESNc1ccc(F)cc1-c1nnnn1CCC1CCCCO1
InChIInChI=1S/C14H18FN5O/c15-10-4-5-13(16)12(9-10)14-17-18-19-20(14)7-6-11-3-1-2-8-21-11/h4-5,9,11H,1-3,6-8,16H2
InChIKeyBFIGBSBECUCXDD-UHFFFAOYSA-N
XLogP2.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003127
5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 107873980
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
4-fluoro-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351652
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 63684284
4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907806
4-[1-(oxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 55014530
4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 126607358
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
CID 99827046
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline (CID 106003099) is 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline is Nc1ccc(F)cc1-c1nnnn1CCC1CCCCO1.
What is the InChIKey of 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline?
The InChIKey is BFIGBSBECUCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c15-10-4-5-13(16)12(9-10)14-17-18-19-20(14)7-6-11-3-1-2-8-21-11/h4-5,9,11H,1-3,6-8,16H2.
What are the key properties of 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline?
4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline has a molecular weight of 291.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 106003099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).