4-fluoro-N-(hydrazinylmethyl)-3-methylaniline

C8H12FN3 — CID 115260421

IUPAC4-fluoro-N-(hydrazinylmethyl)-3-methylaniline
SMILESCc1cc(NCNN)ccc1F
InChIInChI=1S/C8H12FN3/c1-6-4-7(11-5-12-10)2-3-8(6)9/h2-4,11-12H,5,10H2,1H3
InChIKeyDADFENKRTBHWMD-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.97
Rot. Bonds3

About 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline

4-fluoro-N-(hydrazinylmethyl)-3-methylaniline (PubChem CID 115260421) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(hydrazinylmethyl)-3-methylaniline
PubChem CID115260421
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name4-fluoro-N-(hydrazinylmethyl)-3-methylaniline
SMILESCc1cc(NCNN)ccc1F
InChIInChI=1S/C8H12FN3/c1-6-4-7(11-5-12-10)2-3-8(6)9/h2-4,11-12H,5,10H2,1H3
InChIKeyDADFENKRTBHWMD-UHFFFAOYSA-N
XLogP0.97
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387
1-N-(4-fluoro-3-methylphenyl)-4-methylpentane-1,4-diamine
CID 115205113
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline
CID 103792010
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-3-methylaniline
CID 62810399
2-[(4-fluoro-3-methylanilino)methyl]-3-methylbutanoic acid
CID 115250170
N-(3-ethoxypropyl)-4-fluoro-3-methylaniline
CID 65175339
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline?
The IUPAC name of 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline (CID 115260421) is 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline?
The canonical SMILES for 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline is Cc1cc(NCNN)ccc1F.
What is the InChIKey of 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline?
The InChIKey is DADFENKRTBHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-6-4-7(11-5-12-10)2-3-8(6)9/h2-4,11-12H,5,10H2,1H3.
What are the key properties of 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline?
4-fluoro-N-(hydrazinylmethyl)-3-methylaniline has a molecular weight of 169.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(hydrazinylmethyl)-3-methylaniline is sourced from PubChem (CID 115260421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).