[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine

C15H25ClN2O — CID 114211647

IUPAC[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
SMILESCC(C)(C)CCCC(COc1cccc(Cl)c1)NN
InChIInChI=1S/C15H25ClN2O/c1-15(2,3)9-5-7-13(18-17)11-19-14-8-4-6-12(16)10-14/h4,6,8,10,13,18H,5,7,9,11,17H2,1-3H3
InChIKeyRFRPUUAKGSIFOT-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.77
Rot. Bonds7

About [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine

[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine (PubChem CID 114211647) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
PubChem CID114211647
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
SMILESCC(C)(C)CCCC(COc1cccc(Cl)c1)NN
InChIInChI=1S/C15H25ClN2O/c1-15(2,3)9-5-7-13(18-17)11-19-14-8-4-6-12(16)10-14/h4,6,8,10,13,18H,5,7,9,11,17H2,1-3H3
InChIKeyRFRPUUAKGSIFOT-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.77
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

1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211444
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105289375
[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105324483
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine (CID 114211647) is [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine is CC(C)(C)CCCC(COc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine?
The InChIKey is RFRPUUAKGSIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-15(2,3)9-5-7-13(18-17)11-19-14-8-4-6-12(16)10-14/h4,6,8,10,13,18H,5,7,9,11,17H2,1-3H3.
What are the key properties of [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine has a molecular weight of 284.83 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine is sourced from PubChem (CID 114211647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).