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

C16H18BrFN2O — CID 105205390

IUPAC[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(Cc2cccc(F)c2Br)NN)cc1
InChIInChI=1S/C16H18BrFN2O/c1-21-14-7-5-11(6-8-14)9-13(20-19)10-12-3-2-4-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3
InChIKeyDIRMIGHIDCJXSP-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.21
Rot. Bonds6

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

[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105205390) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105205390
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(Cc2cccc(F)c2Br)NN)cc1
InChIInChI=1S/C16H18BrFN2O/c1-21-14-7-5-11(6-8-14)9-13(20-19)10-12-3-2-4-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3
InChIKeyDIRMIGHIDCJXSP-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-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
CID 105327036
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929724
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
[1-(2-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205338
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine (CID 105205390) is [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine is COc1ccc(CC(Cc2cccc(F)c2Br)NN)cc1.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is DIRMIGHIDCJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-21-14-7-5-11(6-8-14)9-13(20-19)10-12-3-2-4-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-3-(4-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-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105205390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).