2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

C14H21N5O — CID 62429146

IUPAC2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCNCc1cn(CCN(C)c2ccccc2OC)nn1
InChIInChI=1S/C14H21N5O/c1-15-10-12-11-19(17-16-12)9-8-18(2)13-6-4-5-7-14(13)20-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyRXGHMZVKXLVRET-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.14
Rot. Bonds7

About 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (PubChem CID 62429146) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
PubChem CID62429146
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCNCc1cn(CCN(C)c2ccccc2OC)nn1
InChIInChI=1S/C14H21N5O/c1-15-10-12-11-19(17-16-12)9-8-18(2)13-6-4-5-7-14(13)20-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyRXGHMZVKXLVRET-UHFFFAOYSA-N
XLogP1.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The IUPAC name of 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (CID 62429146) is 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.
What is the SMILES notation for 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The canonical SMILES for 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is CNCc1cn(CCN(C)c2ccccc2OC)nn1.
What is the InChIKey of 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The InChIKey is RXGHMZVKXLVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-15-10-12-11-19(17-16-12)9-8-18(2)13-6-4-5-7-14(13)20-3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline has a molecular weight of 275.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is sourced from PubChem (CID 62429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).