1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine

C15H14N4O — CID 106485346

IUPAC1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-16-10-11-6-2-5-9-14(11)20-15-17-12-7-3-4-8-13(12)18-19-15/h2-9,16H,10H2,1H3
InChIKeyJGOOHIIZSYUIBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine

1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine (PubChem CID 106485346) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine
PubChem CID106485346
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-16-10-11-6-2-5-9-14(11)20-15-17-12-7-3-4-8-13(12)18-19-15/h2-9,16H,10H2,1H3
InChIKeyJGOOHIIZSYUIBV-UHFFFAOYSA-N
XLogP2.54
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-quinolin-2-yloxyphenyl)methanamine
CID 106485480
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
CID 106485491
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
3-(1,2,4-benzotriazin-3-yloxy)-2-bromoaniline
CID 103204593
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
1-[2-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485522

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine (CID 106485346) is 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1nnc2ccccc2n1.
What is the InChIKey of 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is JGOOHIIZSYUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-10-11-6-2-5-9-14(11)20-15-17-12-7-3-4-8-13(12)18-19-15/h2-9,16H,10H2,1H3.
What are the key properties of 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine?
1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 266.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).