[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine

C17H27ClN2O — CID 105277877

IUPAC[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(Cl)cc2)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17(11-9-16(2,3)10-12-17)15(20-19)13-5-7-14(18)8-6-13/h5-8,15,20H,4,9-12,19H2,1-3H3
InChIKeyWOBOULPBQIINLZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.22
Rot. Bonds5

About [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine

[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 105277877) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
PubChem CID105277877
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(Cl)cc2)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17(11-9-16(2,3)10-12-17)15(20-19)13-5-7-14(18)8-6-13/h5-8,15,20H,4,9-12,19H2,1-3H3
InChIKeyWOBOULPBQIINLZ-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.22
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

[(5-chlorothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277901
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720
[(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105277891
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
[(4-chlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281123
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
[3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277842

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine (CID 105277877) is [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine is CCOC1(C(NN)c2ccc(Cl)cc2)CCC(C)(C)CC1.
What is the InChIKey of [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is WOBOULPBQIINLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-21-17(11-9-16(2,3)10-12-17)15(20-19)13-5-7-14(18)8-6-13/h5-8,15,20H,4,9-12,19H2,1-3H3.
What are the key properties of [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 310.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105277877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).