[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine

C17H27ClN2O — CID 107562491

IUPAC[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(C)c(Cl)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-12-5-6-13(11-14(12)18)15(20-19)17(21-4)9-7-16(2,3)8-10-17/h5-6,11,15,20H,7-10,19H2,1-4H3
InChIKeyUBQGMKYBQOLMIB-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.14
Rot. Bonds4

About [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine

[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 107562491) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
PubChem CID107562491
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(C)c(Cl)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-12-5-6-13(11-14(12)18)15(20-19)17(21-4)9-7-16(2,3)8-10-17/h5-6,11,15,20H,7-10,19H2,1-4H3
InChIKeyUBQGMKYBQOLMIB-UHFFFAOYSA-N
XLogP4.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.14
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-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277963
[(3-ethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277954
[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 107562549
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
[(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268736
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765
[(3,4-dichlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281293
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276690
[(2-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276997
[(2-chloro-5-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105397994

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine (CID 107562491) is [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine is COC1(C(NN)c2ccc(C)c(Cl)c2)CCC(C)(C)CC1.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is UBQGMKYBQOLMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12-5-6-13(11-14(12)18)15(20-19)17(21-4)9-7-16(2,3)8-10-17/h5-6,11,15,20H,7-10,19H2,1-4H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 310.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 107562491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).