[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine

C14H19N3O2 — CID 61491518

IUPAC[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCn1cccn1
InChIInChI=1S/C14H19N3O2/c1-2-18-14-10-12(11-15)4-5-13(14)19-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,11,15H2,1H3
InChIKeyMUODTJIFYATNPU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.82
Rot. Bonds7

About [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine

[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine (PubChem CID 61491518) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
PubChem CID61491518
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCn1cccn1
InChIInChI=1S/C14H19N3O2/c1-2-18-14-10-12(11-15)4-5-13(14)19-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,11,15H2,1H3
InChIKeyMUODTJIFYATNPU-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809
[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
CID 106721561
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
CID 61494765
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine (CID 61491518) is [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine is CCOc1cc(CN)ccc1OCCn1cccn1.
What is the InChIKey of [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The InChIKey is MUODTJIFYATNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-18-14-10-12(11-15)4-5-13(14)19-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,11,15H2,1H3.
What are the key properties of [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 61491518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).