N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

C14H16N4O — CID 62562505

IUPACN-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCn1nnc2ccccc21)c1ccco1
InChIInChI=1S/C14H16N4O/c1-11(14-7-4-10-19-14)15-8-9-18-13-6-3-2-5-12(13)16-17-18/h2-7,10-11,15H,8-9H2,1H3
InChIKeyWDFIINGSWOWVMX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 62562505) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID62562505
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCn1nnc2ccccc21)c1ccco1
InChIInChI=1S/C14H16N4O/c1-11(14-7-4-10-19-14)15-8-9-18-13-6-3-2-5-12(13)16-17-18/h2-7,10-11,15H,8-9H2,1H3
InChIKeyWDFIINGSWOWVMX-UHFFFAOYSA-N
XLogP2.38
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzotriazol-1-yl)ethyl]pentan-2-amine
CID 55087940
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 63105832
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
2-(benzotriazol-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62564068
2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
CID 62924452
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 81392850
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide
CID 3185213

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 62562505) is N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is CC(NCCn1nnc2ccccc21)c1ccco1.
What is the InChIKey of N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is WDFIINGSWOWVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11(14-7-4-10-19-14)15-8-9-18-13-6-3-2-5-12(13)16-17-18/h2-7,10-11,15H,8-9H2,1H3.
What are the key properties of N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 256.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62562505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).