N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline

C14H13FN4 — CID 55087842

IUPACN-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13FN4/c15-11-5-7-12(8-6-11)16-9-10-19-14-4-2-1-3-13(14)17-18-19/h1-8,16H,9-10H2
InChIKeyDMAAOCVCFVCNIU-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline

N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline (PubChem CID 55087842) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline
PubChem CID55087842
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC NameN-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13FN4/c15-11-5-7-12(8-6-11)16-9-10-19-14-4-2-1-3-13(14)17-18-19/h1-8,16H,9-10H2
InChIKeyDMAAOCVCFVCNIU-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzotriazol-1-yl)ethyl]-3-bromoaniline
CID 55087988
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(3-chloropropyl)benzotriazole
CID 5243938
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
N-[2-(benzotriazol-1-yl)ethyl]pentan-2-amine
CID 55087940
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385
N-(benzotriazol-1-ylmethyl)-4-(pyridin-4-ylmethyl)aniline
CID 21233477
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
2-(benzotriazol-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62564068

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline (CID 55087842) is N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline is Fc1ccc(NCCn2nnc3ccccc32)cc1.
What is the InChIKey of N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline?
The InChIKey is DMAAOCVCFVCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-11-5-7-12(8-6-11)16-9-10-19-14-4-2-1-3-13(14)17-18-19/h1-8,16H,9-10H2.
What are the key properties of N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline?
N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline has a molecular weight of 256.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 55087842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).