[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine

C17H19ClN2O — CID 105340975

IUPAC[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(OC3CC3)cc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-10-13(4-9-16(11)18)17(20-19)12-2-5-14(6-3-12)21-15-7-8-15/h2-6,9-10,15,17,20H,7-8,19H2,1H3
InChIKeyRHQBUGRKMHMBAE-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.74
Rot. Bonds5

About [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine

[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine (PubChem CID 105340975) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
PubChem CID105340975
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(OC3CC3)cc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-10-13(4-9-16(11)18)17(20-19)12-2-5-14(6-3-12)21-15-7-8-15/h2-6,9-10,15,17,20H,7-8,19H2,1H3
InChIKeyRHQBUGRKMHMBAE-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine (CID 105340975) is [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(OC3CC3)cc2)ccc1Cl.
What is the InChIKey of [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine?
The InChIKey is RHQBUGRKMHMBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-10-13(4-9-16(11)18)17(20-19)12-2-5-14(6-3-12)21-15-7-8-15/h2-6,9-10,15,17,20H,7-8,19H2,1H3.
What are the key properties of [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine?
[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine has a molecular weight of 302.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105340975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).