[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine

C13H22N2O2 — CID 105295390

IUPAC[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
SMILESCCOCCC(Cc1cccc(OC)c1)NN
InChIInChI=1S/C13H22N2O2/c1-3-17-8-7-12(15-14)9-11-5-4-6-13(10-11)16-2/h4-6,10,12,15H,3,7-9,14H2,1-2H3
InChIKeyGPBUIMLFQCQRDN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.50
Rot. Bonds8

About [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine

[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine (PubChem CID 105295390) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
PubChem CID105295390
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
SMILESCCOCCC(Cc1cccc(OC)c1)NN
InChIInChI=1S/C13H22N2O2/c1-3-17-8-7-12(15-14)9-11-5-4-6-13(10-11)16-2/h4-6,10,12,15H,3,7-9,14H2,1-2H3
InChIKeyGPBUIMLFQCQRDN-UHFFFAOYSA-N
XLogP1.50
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211444
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
[4-(furan-2-yl)-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295310
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine (CID 105295390) is [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine is CCOCCC(Cc1cccc(OC)c1)NN.
What is the InChIKey of [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine?
The InChIKey is GPBUIMLFQCQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-17-8-7-12(15-14)9-11-5-4-6-13(10-11)16-2/h4-6,10,12,15H,3,7-9,14H2,1-2H3.
What are the key properties of [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine?
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105295390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).