(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine

C8H12FN3O — CID 116947406

IUPAC(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
SMILESCOc1ccc(C(N)NN)cc1F
InChIInChI=1S/C8H12FN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4,8,12H,10-11H2,1H3
InChIKeyLQNNUGLBWLDBGI-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.25
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine

(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine (PubChem CID 116947406) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
PubChem CID116947406
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
SMILESCOc1ccc(C(N)NN)cc1F
InChIInChI=1S/C8H12FN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4,8,12H,10-11H2,1H3
InChIKeyLQNNUGLBWLDBGI-UHFFFAOYSA-N
XLogP0.25
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105265555
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine (CID 116947406) is (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine is COc1ccc(C(N)NN)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine?
The InChIKey is LQNNUGLBWLDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4,8,12H,10-11H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine?
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine has a molecular weight of 185.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine is sourced from PubChem (CID 116947406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).