1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine

C8H11BrFN3 — CID 115260847

IUPAC1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
SMILESNNCNCc1cc(Br)ccc1F
InChIInChI=1S/C8H11BrFN3/c9-7-1-2-8(10)6(3-7)4-12-5-13-11/h1-3,12-13H,4-5,11H2
InChIKeyOCBVULGGVDKEMM-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.10
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine

1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine (PubChem CID 115260847) has the molecular formula C8H11BrFN3 and a molecular weight of 248.10 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
PubChem CID115260847
Molecular FormulaC8H11BrFN3
Molecular Weight248.10 g/mol
Exact Mass247.01
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
SMILESNNCNCc1cc(Br)ccc1F
InChIInChI=1S/C8H11BrFN3/c9-7-1-2-8(10)6(3-7)4-12-5-13-11/h1-3,12-13H,4-5,11H2
InChIKeyOCBVULGGVDKEMM-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-bromo-3-methylphenyl)methanamine
CID 66472819
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
1-(5-bromo-2-fluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63453864

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine (CID 115260847) is 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine is NNCNCc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine?
The InChIKey is OCBVULGGVDKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN3/c9-7-1-2-8(10)6(3-7)4-12-5-13-11/h1-3,12-13H,4-5,11H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine has a molecular weight of 248.10 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine is sourced from PubChem (CID 115260847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).