[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine

C13H21ClN2O — CID 105283445

IUPAC[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2O/c1-2-7-17-8-6-13(16-15)10-11-4-3-5-12(14)9-11/h3-5,9,13,16H,2,6-8,10,15H2,1H3
InChIKeySHPGIPKVVMEUNE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.53
Rot. Bonds8

About [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine

[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105283445) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105283445
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2O/c1-2-7-17-8-6-13(16-15)10-11-4-3-5-12(14)9-11/h3-5,9,13,16H,2,6-8,10,15H2,1H3
InChIKeySHPGIPKVVMEUNE-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.53
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

[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105342708
[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105195012
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
(1-phenyl-5-propoxypentan-3-yl)hydrazine
CID 105285874
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine (CID 105283445) is [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is SHPGIPKVVMEUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-7-17-8-6-13(16-15)10-11-4-3-5-12(14)9-11/h3-5,9,13,16H,2,6-8,10,15H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine?
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).