[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine

C17H21ClN2O — CID 105320834

IUPAC[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine
SMILESCOc1cc(C(CCCc2ccccc2)NN)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-21-17-12-14(10-11-15(17)18)16(20-19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,20H,5,8-9,19H2,1H3
InChIKeyNURPMZHLKNSNFL-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.88
Rot. Bonds7

About [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine

[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine (PubChem CID 105320834) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine
PubChem CID105320834
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine
SMILESCOc1cc(C(CCCc2ccccc2)NN)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-21-17-12-14(10-11-15(17)18)16(20-19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,20H,5,8-9,19H2,1H3
InChIKeyNURPMZHLKNSNFL-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
[1-(4-chloro-3-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195152
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
[1-(4-chloro-3-methoxyphenyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105320863
[4-phenyl-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193992
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707
[1-(4-fluoro-3-methylphenyl)-4-phenylbutyl]hydrazine
CID 105203971
[1-(4-chloro-3-methoxyphenyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211263
[1-(5-methoxy-3-pyridinyl)-4-phenylbutyl]hydrazine
CID 105329812
[1-(2,5-dichlorophenyl)-4-phenylbutyl]hydrazine
CID 105299790
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine?
The IUPAC name of [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine (CID 105320834) is [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine is COc1cc(C(CCCc2ccccc2)NN)ccc1Cl.
What is the InChIKey of [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine?
The InChIKey is NURPMZHLKNSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-21-17-12-14(10-11-15(17)18)16(20-19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,20H,5,8-9,19H2,1H3.
What are the key properties of [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine?
[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine has a molecular weight of 304.82 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine is sourced from PubChem (CID 105320834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).