[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine

C14H23BrN2O — CID 105290221

IUPAC[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1ccc(OC)c(Br)c1)NN
InChIInChI=1S/C14H23BrN2O/c1-4-11(5-2)13(17-16)9-10-6-7-14(18-3)12(15)8-10/h6-8,11,13,17H,4-5,9,16H2,1-3H3
InChIKeyRKDWMMYQEVPMSY-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.27
Rot. Bonds7

About [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine

[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine (PubChem CID 105290221) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
PubChem CID105290221
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1ccc(OC)c(Br)c1)NN
InChIInChI=1S/C14H23BrN2O/c1-4-11(5-2)13(17-16)9-10-6-7-14(18-3)12(15)8-10/h6-8,11,13,17H,4-5,9,16H2,1-3H3
InChIKeyRKDWMMYQEVPMSY-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
CID 105293002
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
CID 105241620
[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222004
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
1-(3-bromo-4-methoxyphenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053067

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine (CID 105290221) is [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine is CCC(CC)C(Cc1ccc(OC)c(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine?
The InChIKey is RKDWMMYQEVPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-11(5-2)13(17-16)9-10-6-7-14(18-3)12(15)8-10/h6-8,11,13,17H,4-5,9,16H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine has a molecular weight of 315.26 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105290221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).