[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine

C17H21BrN2O — CID 105214858

IUPAC[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
SMILESCOc1ccc(CCC(Cc2ccccc2Br)NN)cc1
InChIInChI=1S/C17H21BrN2O/c1-21-16-10-7-13(8-11-16)6-9-15(20-19)12-14-4-2-3-5-17(14)18/h2-5,7-8,10-11,15,20H,6,9,12,19H2,1H3
InChIKeyGXXOSNVVOYIJEL-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.46
Rot. Bonds7

About [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine

[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine (PubChem CID 105214858) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
PubChem CID105214858
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
SMILESCOc1ccc(CCC(Cc2ccccc2Br)NN)cc1
InChIInChI=1S/C17H21BrN2O/c1-21-16-10-7-13(8-11-16)6-9-15(20-19)12-14-4-2-3-5-17(14)18/h2-5,7-8,10-11,15,20H,6,9,12,19H2,1H3
InChIKeyGXXOSNVVOYIJEL-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.46
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-bromophenyl)-5-phenylpentan-2-yl]hydrazine
CID 105214828
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
[1-(2-bromophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250637
[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205390
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
CID 105214924
[6-methoxy-1-(4-methoxyphenyl)-6-methylheptan-3-yl]hydrazine
CID 103026524
[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
CID 114984994
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine (CID 105214858) is [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine is COc1ccc(CCC(Cc2ccccc2Br)NN)cc1.
What is the InChIKey of [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine?
The InChIKey is GXXOSNVVOYIJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-21-16-10-7-13(8-11-16)6-9-15(20-19)12-14-4-2-3-5-17(14)18/h2-5,7-8,10-11,15,20H,6,9,12,19H2,1H3.
What are the key properties of [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine?
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105214858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).