[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine

C12H20N2O — CID 98014048

IUPAC[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
SMILESCCCCOc1ccc([C@H](C)NN)cc1
InChIInChI=1S/C12H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)14-13/h5-8,10,14H,3-4,9,13H2,1-2H3/t10-/m0/s1
InChIKeyKMIZBLWYLBPOJX-JTQLQIEISA-N
MW208.31 g/mol
LogP2.39
Rot. Bonds6

About [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine

[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine (PubChem CID 98014048) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
PubChem CID98014048
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
SMILESCCCCOc1ccc([C@H](C)NN)cc1
InChIInChI=1S/C12H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)14-13/h5-8,10,14H,3-4,9,13H2,1-2H3/t10-/m0/s1
InChIKeyKMIZBLWYLBPOJX-JTQLQIEISA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
CID 105281210
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427
1-(4-pentylphenyl)ethylhydrazine
CID 53402344
[(4-butoxyphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284931
1-[1-(4-butoxyphenyl)ethyl]-3-hydroxyurea
CID 19804452
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine?
The IUPAC name of [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine (CID 98014048) is [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine is CCCCOc1ccc([C@H](C)NN)cc1.
What is the InChIKey of [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine?
The InChIKey is KMIZBLWYLBPOJX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)14-13/h5-8,10,14H,3-4,9,13H2,1-2H3/t10-/m0/s1.
What are the key properties of [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine?
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine has a molecular weight of 208.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-butoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 98014048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).