1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane

C17H31ClN2O — CID 142399959

IUPAC1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane
SMILESCC.CC(C)COCCCNNC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O.C2H6/c1-12(2)11-19-9-5-8-17-18-13(3)14-6-4-7-15(16)10-14;1-2/h4,6-7,10,12-13,17-18H,5,8-9,11H2,1-3H3;1-2H3
InChIKeyWXISWXVKFDQEFQ-UHFFFAOYSA-N
MW314.90 g/mol
LogP4.58
Rot. Bonds9

About 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane

1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane (PubChem CID 142399959) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane
PubChem CID142399959
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane
SMILESCC.CC(C)COCCCNNC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O.C2H6/c1-12(2)11-19-9-5-8-17-18-13(3)14-6-4-7-15(16)10-14;1-2/h4,6-7,10,12-13,17-18H,5,8-9,11H2,1-3H3;1-2H3
InChIKeyWXISWXVKFDQEFQ-UHFFFAOYSA-N
XLogP4.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-2-[1-[3-(2-methylpropoxy)phenyl]ethyl]hydrazine
CID 142399565
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
ethane;1-(3-ethoxypropyl)-2-[1-[3-(2-fluoroethoxy)phenyl]ethyl]hydrazine
CID 142400019
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane (CID 142399959) is 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane is CC.CC(C)COCCCNNC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane?
The InChIKey is WXISWXVKFDQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O.C2H6/c1-12(2)11-19-9-5-8-17-18-13(3)14-6-4-7-15(16)10-14;1-2/h4,6-7,10,12-13,17-18H,5,8-9,11H2,1-3H3;1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane?
1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane has a molecular weight of 314.90 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]hydrazine;ethane is sourced from PubChem (CID 142399959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).