[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine

C17H29ClN2O — CID 105297547

IUPAC[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(CC(C)CC(C)(C)C)NN
InChIInChI=1S/C17H29ClN2O/c1-12(11-17(2,3)4)8-15(20-19)10-13-9-14(18)6-7-16(13)21-5/h6-7,9,12,15,20H,8,10-11,19H2,1-5H3
InChIKeyINXAUGKQVTZYIG-UHFFFAOYSA-N
MW312.88 g/mol
LogP4.19
Rot. Bonds7

About [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine

[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine (PubChem CID 105297547) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
PubChem CID105297547
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(CC(C)CC(C)(C)C)NN
InChIInChI=1S/C17H29ClN2O/c1-12(11-17(2,3)4)8-15(20-19)10-13-9-14(18)6-7-16(13)21-5/h6-7,9,12,15,20H,8,10-11,19H2,1-5H3
InChIKeyINXAUGKQVTZYIG-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 54.19
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)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648
[1-(5-chloro-2-methoxyphenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025258
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265511
[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
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115813662
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
[2-(5-chloro-2-methoxyphenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297654

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine (CID 105297547) is [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine is COc1ccc(Cl)cc1CC(CC(C)CC(C)(C)C)NN.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The InChIKey is INXAUGKQVTZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O/c1-12(11-17(2,3)4)8-15(20-19)10-13-9-14(18)6-7-16(13)21-5/h6-7,9,12,15,20H,8,10-11,19H2,1-5H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine has a molecular weight of 312.88 g/mol, XLogP of 4.19, 7 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)-4,6,6-trimethylheptan-2-yl]hydrazine is sourced from PubChem (CID 105297547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).