[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine

C13H21BrN2O — CID 103025177

IUPAC[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C13H21BrN2O/c1-13(2,17-3)9-12(16-15)8-10-5-4-6-11(14)7-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeySPYZSVNLYXGKBE-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.64
Rot. Bonds6

About [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine

[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 103025177) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID103025177
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C13H21BrN2O/c1-13(2,17-3)9-12(16-15)8-10-5-4-6-11(14)7-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeySPYZSVNLYXGKBE-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.64
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-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
[1-(3-bromophenyl)-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105202692
[1-(3-bromophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105202756
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115789167
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine (CID 103025177) is [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine is COC(C)(C)CC(Cc1cccc(Br)c1)NN.
What is the InChIKey of [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is SPYZSVNLYXGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-13(2,17-3)9-12(16-15)8-10-5-4-6-11(14)7-10/h4-7,12,16H,8-9,15H2,1-3H3.
What are the key properties of [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 301.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 103025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).