N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine

C16H23N3O2 — CID 106104724

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOc1ccccc1OCCNCCc1ccn(C)n1
InChIInChI=1S/C16H23N3O2/c1-3-20-15-6-4-5-7-16(15)21-13-11-17-10-8-14-9-12-19(2)18-14/h4-7,9,12,17H,3,8,10-11,13H2,1-2H3
InChIKeyYWBFUAGRPGNCDW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds9

About N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 106104724) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID106104724
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOc1ccccc1OCCNCCc1ccn(C)n1
InChIInChI=1S/C16H23N3O2/c1-3-20-15-6-4-5-7-16(15)21-13-11-17-10-8-14-9-12-19(2)18-14/h4-7,9,12,17H,3,8,10-11,13H2,1-2H3
InChIKeyYWBFUAGRPGNCDW-UHFFFAOYSA-N
XLogP2.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921714
3,3-diethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106104477
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399915
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 113434551
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 106104724) is N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine is CCOc1ccccc1OCCNCCc1ccn(C)n1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is YWBFUAGRPGNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-20-15-6-4-5-7-16(15)21-13-11-17-10-8-14-9-12-19(2)18-14/h4-7,9,12,17H,3,8,10-11,13H2,1-2H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106104724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).