[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine

C17H21ClN2O — CID 105281210

IUPAC[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
SMILESCCCCOc1ccc(C(NN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-3-12-21-16-10-6-14(7-11-16)17(20-19)13-4-8-15(18)9-5-13/h4-11,17,20H,2-3,12,19H2,1H3
InChIKeyJYHMAFFZHOWEPV-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.07
Rot. Bonds7

About [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine

[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine (PubChem CID 105281210) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
PubChem CID105281210
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
SMILESCCCCOc1ccc(C(NN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-3-12-21-16-10-6-14(7-11-16)17(20-19)13-4-8-15(18)9-5-13/h4-11,17,20H,2-3,12,19H2,1H3
InChIKeyJYHMAFFZHOWEPV-UHFFFAOYSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
[(4-butoxyphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284931
[(5-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303654
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
[(3-methoxyphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105191804
2-(4-chlorophenoxy)ethyl hexanoate
CID 13257641
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
[(5-methylpyrimidin-2-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 105261658

Frequently Asked Questions

What is the IUPAC name of [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine?
The IUPAC name of [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine (CID 105281210) is [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine is CCCCOc1ccc(C(NN)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine?
The InChIKey is JYHMAFFZHOWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-3-12-21-16-10-6-14(7-11-16)17(20-19)13-4-8-15(18)9-5-13/h4-11,17,20H,2-3,12,19H2,1H3.
What are the key properties of [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine?
[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine has a molecular weight of 304.82 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine is sourced from PubChem (CID 105281210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).