[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine

C16H23ClN2 — CID 106650026

IUPAC[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESCc1cc(C(NN)/C2=C/CCCCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2/c1-12-11-14(9-10-15(12)17)16(19-18)13-7-5-3-2-4-6-8-13/h7,9-11,16,19H,2-6,8,18H2,1H3/b13-7+
InChIKeyOQLWMXVIHDDCRB-NTUHNPAUSA-N
MW278.83 g/mol
LogP4.43
Rot. Bonds3

About [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine

[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine (PubChem CID 106650026) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
PubChem CID106650026
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESCc1cc(C(NN)/C2=C/CCCCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2/c1-12-11-14(9-10-15(12)17)16(19-18)13-7-5-3-2-4-6-8-13/h7,9-11,16,19H,2-6,8,18H2,1H3/b13-7+
InChIKeyOQLWMXVIHDDCRB-NTUHNPAUSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
CID 106650017
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The IUPAC name of [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine (CID 106650026) is [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine.
What is the SMILES notation for [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The canonical SMILES for [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine is Cc1cc(C(NN)/C2=C/CCCCCC2)ccc1Cl.
What is the InChIKey of [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The InChIKey is OQLWMXVIHDDCRB-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12-11-14(9-10-15(12)17)16(19-18)13-7-5-3-2-4-6-8-13/h7,9-11,16,19H,2-6,8,18H2,1H3/b13-7+.
What are the key properties of [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine has a molecular weight of 278.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine is sourced from PubChem (CID 106650026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).