[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine

C13H18N4O2 — CID 107040783

IUPAC[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1cn(C)nn1
InChIInChI=1S/C13H18N4O2/c1-3-18-13-6-10(7-14)4-5-12(13)19-9-11-8-17(2)16-15-11/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyHJNKLMOUNLTSFZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds6

About [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine

[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 107040783) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
PubChem CID107040783
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1cn(C)nn1
InChIInChI=1S/C13H18N4O2/c1-3-18-13-6-10(7-14)4-5-12(13)19-9-11-8-17(2)16-15-11/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyHJNKLMOUNLTSFZ-UHFFFAOYSA-N
XLogP1.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107041529
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
CID 107043845
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
3-[5-methyl-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051748

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (CID 107040783) is [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is CCOc1cc(CN)ccc1OCc1cn(C)nn1.
What is the InChIKey of [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is HJNKLMOUNLTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-18-13-6-10(7-14)4-5-12(13)19-9-11-8-17(2)16-15-11/h4-6,8H,3,7,9,14H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107040783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).