2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine

C15H16N4 — CID 134208512

IUPAC2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
SMILESCc1ccc2nnn(C(CN)c3ccccc3)c2c1
InChIInChI=1S/C15H16N4/c1-11-7-8-13-14(9-11)19(18-17-13)15(10-16)12-5-3-2-4-6-12/h2-9,15H,10,16H2,1H3
InChIKeyMHUJTAHGXRJHSO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.29
Rot. Bonds3

About 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine

2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine (PubChem CID 134208512) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
PubChem CID134208512
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
SMILESCc1ccc2nnn(C(CN)c3ccccc3)c2c1
InChIInChI=1S/C15H16N4/c1-11-7-8-13-14(9-11)19(18-17-13)15(10-16)12-5-3-2-4-6-12/h2-9,15H,10,16H2,1H3
InChIKeyMHUJTAHGXRJHSO-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-[3,3-diethoxy-1-(3-methylphenyl)propyl]benzotriazole
CID 10497309
1-butan-2-yl-5-methylbenzotriazole
CID 134239580
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine
CID 3639923
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624
(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 43305034
N-[benzotriazol-1-yl-(3-methylphenyl)methyl]acetamide
CID 3174355

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine?
The IUPAC name of 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine (CID 134208512) is 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine?
The canonical SMILES for 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine is Cc1ccc2nnn(C(CN)c3ccccc3)c2c1.
What is the InChIKey of 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine?
The InChIKey is MHUJTAHGXRJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-7-8-13-14(9-11)19(18-17-13)15(10-16)12-5-3-2-4-6-12/h2-9,15H,10,16H2,1H3.
What are the key properties of 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine?
2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine is sourced from PubChem (CID 134208512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).