[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine

C16H27ClN2O — CID 105297648

IUPAC[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(CC(C)C(C)(C)C)NN
InChIInChI=1S/C16H27ClN2O/c1-11(16(2,3)4)8-14(19-18)10-12-9-13(17)6-7-15(12)20-5/h6-7,9,11,14,19H,8,10,18H2,1-5H3
InChIKeyROMPYDFCRQPLQS-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.80
Rot. Bonds6

About [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine

[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine (PubChem CID 105297648) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
PubChem CID105297648
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(CC(C)C(C)(C)C)NN
InChIInChI=1S/C16H27ClN2O/c1-11(16(2,3)4)8-14(19-18)10-12-9-13(17)6-7-15(12)20-5/h6-7,9,11,14,19H,8,10,18H2,1-5H3
InChIKeyROMPYDFCRQPLQS-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.80
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-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297547
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CID 103025258
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
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[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
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[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
[1-(5-chloro-2-methoxyphenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199913
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine (CID 105297648) is [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine is COc1ccc(Cl)cc1CC(CC(C)C(C)(C)C)NN.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The InChIKey is ROMPYDFCRQPLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-11(16(2,3)4)8-14(19-18)10-12-9-13(17)6-7-15(12)20-5/h6-7,9,11,14,19H,8,10,18H2,1-5H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine has a molecular weight of 298.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105297648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).