[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine

C16H18BrFN2O — CID 105278966

IUPAC[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
SMILESCOC(c1ccccc1)C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C16H18BrFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h2-9,15-16,20H,10,19H2,1H3
InChIKeyDNSZJNVHUQUBBE-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.35
Rot. Bonds6

About [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine

[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine (PubChem CID 105278966) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
PubChem CID105278966
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
SMILESCOC(c1ccccc1)C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C16H18BrFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h2-9,15-16,20H,10,19H2,1H3
InChIKeyDNSZJNVHUQUBBE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

4-(2-hydrazinyl-3-methoxy-3-phenylpropyl)pyridin-2-amine
CID 105279076
(1-methoxy-1-phenyl-3-pyridin-3-ylpropan-2-yl)hydrazine
CID 105279082
[2-(3-bromo-4-fluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105192894
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
[1-ethoxy-3-(3-fluorophenyl)-1-phenylpropan-2-yl]hydrazine
CID 105279229
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952337
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[2-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)ethyl]hydrazine
CID 105194523
3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
CID 43175857
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine?
The IUPAC name of [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine (CID 105278966) is [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine.
What is the SMILES notation for [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine?
The canonical SMILES for [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine is COC(c1ccccc1)C(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine?
The InChIKey is DNSZJNVHUQUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h2-9,15-16,20H,10,19H2,1H3.
What are the key properties of [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine?
[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine is sourced from PubChem (CID 105278966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).