3-[amino-(2,4-difluorophenyl)methyl]aniline

C13H12F2N2 — CID 116936583

IUPAC3-[amino-(2,4-difluorophenyl)methyl]aniline
SMILESNc1cccc(C(N)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13H,16-17H2
InChIKeyRWUZAGWVOYLCTF-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.60
Rot. Bonds2

About 3-[amino-(2,4-difluorophenyl)methyl]aniline

3-[amino-(2,4-difluorophenyl)methyl]aniline (PubChem CID 116936583) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[amino-(2,4-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name3-[amino-(2,4-difluorophenyl)methyl]aniline
PubChem CID116936583
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[amino-(2,4-difluorophenyl)methyl]aniline
SMILESNc1cccc(C(N)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13H,16-17H2
InChIKeyRWUZAGWVOYLCTF-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
5-[amino-(3-aminophenyl)methyl]benzene-1,3-diamine
CID 67060857
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62267773
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4-difluorophenyl)methyl]aniline?
The IUPAC name of 3-[amino-(2,4-difluorophenyl)methyl]aniline (CID 116936583) is 3-[amino-(2,4-difluorophenyl)methyl]aniline.
What is the SMILES notation for 3-[amino-(2,4-difluorophenyl)methyl]aniline?
The canonical SMILES for 3-[amino-(2,4-difluorophenyl)methyl]aniline is Nc1cccc(C(N)c2ccc(F)cc2F)c1.
What is the InChIKey of 3-[amino-(2,4-difluorophenyl)methyl]aniline?
The InChIKey is RWUZAGWVOYLCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13H,16-17H2.
What are the key properties of 3-[amino-(2,4-difluorophenyl)methyl]aniline?
3-[amino-(2,4-difluorophenyl)methyl]aniline has a molecular weight of 234.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4-difluorophenyl)methyl]aniline is sourced from PubChem (CID 116936583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).