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

C16H18BrFN2O — CID 105205131

IUPAC[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(Cc2ccc(Br)cc2F)NN)c1
InChIInChI=1S/C16H18BrFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10,14,20H,7,9,19H2,1H3
InChIKeyRXNMRLPFHXZDFR-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.21
Rot. Bonds6

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

[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105205131) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105205131
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(Cc2ccc(Br)cc2F)NN)c1
InChIInChI=1S/C16H18BrFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10,14,20H,7,9,19H2,1H3
InChIKeyRXNMRLPFHXZDFR-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.21
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-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 103053528
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250426
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105297513
[1-(3-bromophenyl)-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105202692
[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205390
[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105238227

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine (CID 105205131) is [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine is COc1cccc(CC(Cc2ccc(Br)cc2F)NN)c1.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is RXNMRLPFHXZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)9-12-5-6-13(17)10-16(12)18/h2-6,8,10,14,20H,7,9,19H2,1H3.
What are the key properties of [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105205131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).