[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine

C14H23ClN2O2 — CID 105235772

IUPAC[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
SMILESCCOc1ccc(C(CCCCl)NN)cc1OCC
InChIInChI=1S/C14H23ClN2O2/c1-3-18-13-8-7-11(10-14(13)19-4-2)12(17-16)6-5-9-15/h7-8,10,12,17H,3-6,9,16H2,1-2H3
InChIKeyNFHASHUORDPBCI-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.01
Rot. Bonds9

About [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine

[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine (PubChem CID 105235772) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
PubChem CID105235772
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
SMILESCCOc1ccc(C(CCCCl)NN)cc1OCC
InChIInChI=1S/C14H23ClN2O2/c1-3-18-13-8-7-11(10-14(13)19-4-2)12(17-16)6-5-9-15/h7-8,10,12,17H,3-6,9,16H2,1-2H3
InChIKeyNFHASHUORDPBCI-UHFFFAOYSA-N
XLogP3.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)hex-5-enylhydrazine
CID 105311210
[1-(3,4-diethoxyphenyl)-3-methylbutyl]hydrazine
CID 105199088
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
[4-chloro-1-(3-ethylphenyl)butyl]hydrazine
CID 105235498
[1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331455
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233
1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
CID 105315456
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
[4-chloro-1-(4-phenylphenyl)butyl]hydrazine
CID 105235525
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine (CID 105235772) is [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine is CCOc1ccc(C(CCCCl)NN)cc1OCC.
What is the InChIKey of [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine?
The InChIKey is NFHASHUORDPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-3-18-13-8-7-11(10-14(13)19-4-2)12(17-16)6-5-9-15/h7-8,10,12,17H,3-6,9,16H2,1-2H3.
What are the key properties of [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine?
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine has a molecular weight of 286.80 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine is sourced from PubChem (CID 105235772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).