N-[1-(benzotriazol-1-yl)ethyl]aniline

C14H14N4 — CID 3451461

IUPACN-[1-(benzotriazol-1-yl)ethyl]aniline
SMILESCC(Nc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H14N4/c1-11(15-12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16-17-18/h2-11,15H,1H3
InChIKeyHLIOCSMHAVCKMV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(benzotriazol-1-yl)ethyl]aniline

N-[1-(benzotriazol-1-yl)ethyl]aniline (PubChem CID 3451461) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)ethyl]aniline
PubChem CID3451461
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-[1-(benzotriazol-1-yl)ethyl]aniline
SMILESCC(Nc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H14N4/c1-11(15-12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16-17-18/h2-11,15H,1H3
InChIKeyHLIOCSMHAVCKMV-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-yl)ethyl]aniline?
The IUPAC name of N-[1-(benzotriazol-1-yl)ethyl]aniline (CID 3451461) is N-[1-(benzotriazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)ethyl]aniline?
The canonical SMILES for N-[1-(benzotriazol-1-yl)ethyl]aniline is CC(Nc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-yl)ethyl]aniline?
The InChIKey is HLIOCSMHAVCKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11(15-12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16-17-18/h2-11,15H,1H3.
What are the key properties of N-[1-(benzotriazol-1-yl)ethyl]aniline?
N-[1-(benzotriazol-1-yl)ethyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-yl)ethyl]aniline is sourced from PubChem (CID 3451461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).