[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine

C14H23BrN2O — CID 105298218

IUPAC[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-5-10(2)8-14(17-16)12-9-11(18-3)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3
InChIKeyHAQHMOCBKIFJBU-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.79
Rot. Bonds7

About [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine

[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine (PubChem CID 105298218) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
PubChem CID105298218
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-5-10(2)8-14(17-16)12-9-11(18-3)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3
InChIKeyHAQHMOCBKIFJBU-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.79
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-(2-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105256894
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315167
[1-(2-methoxy-4-methylphenyl)-3-methylhexyl]hydrazine
CID 106793869
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
CID 105281554
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
CID 105298115
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine (CID 105298218) is [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine is CCCC(C)CC(NN)c1cc(OC)ccc1Br.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine?
The InChIKey is HAQHMOCBKIFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-5-10(2)8-14(17-16)12-9-11(18-3)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine has a molecular weight of 315.26 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine is sourced from PubChem (CID 105298218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).