1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine

C17H31N3O — CID 105240781

IUPAC1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCOc1ccccc1C(NN)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H31N3O/c1-6-17(5,20(7-2)8-3)16(19-18)14-12-10-11-13-15(14)21-9-4/h10-13,16,19H,6-9,18H2,1-5H3
InChIKeyNHFXDXRYQIQFSQ-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.10
Rot. Bonds9

About 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine

1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (PubChem CID 105240781) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
PubChem CID105240781
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCOc1ccccc1C(NN)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H31N3O/c1-6-17(5,20(7-2)8-3)16(19-18)14-12-10-11-13-15(14)21-9-4/h10-13,16,19H,6-9,18H2,1-5H3
InChIKeyNHFXDXRYQIQFSQ-UHFFFAOYSA-N
XLogP3.10
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239481
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
[1-(2-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105304469
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
[2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-2-methylpropyl]hydrazine
CID 105245524
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395
N,N-diethyl-1-(3-ethylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240787
[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190770
[2-methoxy-1-(2-methoxyphenyl)-2-methylpropyl]hydrazine
CID 105245221
[(2-ethoxyphenyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268919
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (CID 105240781) is 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is CCOc1ccccc1C(NN)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The InChIKey is NHFXDXRYQIQFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-17(5,20(7-2)8-3)16(19-18)14-12-10-11-13-15(14)21-9-4/h10-13,16,19H,6-9,18H2,1-5H3.
What are the key properties of 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is sourced from PubChem (CID 105240781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).