N-(1-phenylethyl)-2H-benzotriazol-4-amine

C14H14N4 — CID 53249228

IUPACN-(1-phenylethyl)-2H-benzotriazol-4-amine
SMILESCC(Nc1cccc2n[nH]nc12)c1ccccc1
InChIInChI=1S/C14H14N4/c1-10(11-6-3-2-4-7-11)15-12-8-5-9-13-14(12)17-18-16-13/h2-10,15H,1H3,(H,16,17,18)
InChIKeyKUYZAVTYDKMQGV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.13
Rot. Bonds3

About N-(1-phenylethyl)-2H-benzotriazol-4-amine

N-(1-phenylethyl)-2H-benzotriazol-4-amine (PubChem CID 53249228) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-phenylethyl)-2H-benzotriazol-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-2H-benzotriazol-4-amine
PubChem CID53249228
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(1-phenylethyl)-2H-benzotriazol-4-amine
SMILESCC(Nc1cccc2n[nH]nc12)c1ccccc1
InChIInChI=1S/C14H14N4/c1-10(11-6-3-2-4-7-11)15-12-8-5-9-13-14(12)17-18-16-13/h2-10,15H,1H3,(H,16,17,18)
InChIKeyKUYZAVTYDKMQGV-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-1H-benzotriazole
CID 521212
alpha-Methylbenzylaminobenzotriazole
CID 119340
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CID 733621
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
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2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736
N'-methyl-N-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1-phenylpropane-1,3-diamine
CID 9996532
1H-Benzotriazole, 4-(1-piperazinyl)-, dihydrochloride
CID 6410629
N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
CID 7098322
N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine
CID 11681145
N-(2H-benzotriazol-5-ylmethyl)butan-1-amine
CID 63322205
1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea
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N-(2H-benzotriazol-5-ylmethyl)-2-methylaniline
CID 122185770

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2H-benzotriazol-4-amine?
The IUPAC name of N-(1-phenylethyl)-2H-benzotriazol-4-amine (CID 53249228) is N-(1-phenylethyl)-2H-benzotriazol-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-2H-benzotriazol-4-amine?
The canonical SMILES for N-(1-phenylethyl)-2H-benzotriazol-4-amine is CC(Nc1cccc2n[nH]nc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2H-benzotriazol-4-amine?
The InChIKey is KUYZAVTYDKMQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(11-6-3-2-4-7-11)15-12-8-5-9-13-14(12)17-18-16-13/h2-10,15H,1H3,(H,16,17,18).
What are the key properties of N-(1-phenylethyl)-2H-benzotriazol-4-amine?
N-(1-phenylethyl)-2H-benzotriazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2H-benzotriazol-4-amine is sourced from PubChem (CID 53249228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).