[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine

C13H19ClN2O — CID 105311025

IUPAC[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(CC1CC1)NN
InChIInChI=1S/C13H19ClN2O/c1-9(13(16-15)7-10-5-6-10)17-12-4-2-3-11(14)8-12/h2-4,8-10,13,16H,5-7,15H2,1H3
InChIKeyJHHFDBQKQTXPSF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.74
Rot. Bonds6

About [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine

[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine (PubChem CID 105311025) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
PubChem CID105311025
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(CC1CC1)NN
InChIInChI=1S/C13H19ClN2O/c1-9(13(16-15)7-10-5-6-10)17-12-4-2-3-11(14)8-12/h2-4,8-10,13,16H,5-7,15H2,1H3
InChIKeyJHHFDBQKQTXPSF-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
CID 105157730
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
CID 105108066
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine?
The IUPAC name of [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine (CID 105311025) is [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine.
What is the SMILES notation for [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine?
The canonical SMILES for [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine is CC(Oc1cccc(Cl)c1)C(CC1CC1)NN.
What is the InChIKey of [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine?
The InChIKey is JHHFDBQKQTXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(13(16-15)7-10-5-6-10)17-12-4-2-3-11(14)8-12/h2-4,8-10,13,16H,5-7,15H2,1H3.
What are the key properties of [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine?
[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine has a molecular weight of 254.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine is sourced from PubChem (CID 105311025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).