[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine

C14H20BrClN2O — CID 105256180

IUPAC[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2ccc(Br)cc2Cl)NN)CCCCO1
InChIInChI=1S/C14H20BrClN2O/c1-14(6-2-3-7-19-14)13(18-17)8-10-4-5-11(15)9-12(10)16/h4-5,9,13,18H,2-3,6-8,17H2,1H3
InChIKeyVBVJFDSKQHKCTN-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.44
Rot. Bonds4

About [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine

[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine (PubChem CID 105256180) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
PubChem CID105256180
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2ccc(Br)cc2Cl)NN)CCCCO1
InChIInChI=1S/C14H20BrClN2O/c1-14(6-2-3-7-19-14)13(18-17)8-10-4-5-11(15)9-12(10)16/h4-5,9,13,18H,2-3,6-8,17H2,1H3
InChIKeyVBVJFDSKQHKCTN-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.44
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

[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152
[2-(4-bromo-2-chlorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105335222
[2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276609
[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250920
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
[1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethyl]hydrazine
CID 105256213
N-[2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-2-yl)ethyl]propan-1-amine
CID 106867367
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(5-ethylthiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250845

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine (CID 105256180) is [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine is CC1(C(Cc2ccc(Br)cc2Cl)NN)CCCCO1.
What is the InChIKey of [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine?
The InChIKey is VBVJFDSKQHKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-14(6-2-3-7-19-14)13(18-17)8-10-4-5-11(15)9-12(10)16/h4-5,9,13,18H,2-3,6-8,17H2,1H3.
What are the key properties of [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine?
[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine has a molecular weight of 347.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105256180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).