3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine

C13H13F2N3 — CID 62531809

IUPAC3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCc1ccncc1
InChIInChI=1S/C13H13F2N3/c14-10-1-2-11(16)13(12(10)15)18-8-5-9-3-6-17-7-4-9/h1-4,6-7,18H,5,8,16H2
InChIKeyVMOGLXDJHQZCSC-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.60
Rot. Bonds4

About 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine

3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine (PubChem CID 62531809) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
PubChem CID62531809
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCc1ccncc1
InChIInChI=1S/C13H13F2N3/c14-10-1-2-11(16)13(12(10)15)18-8-5-9-3-6-17-7-4-9/h1-4,6-7,18H,5,8,16H2
InChIKeyVMOGLXDJHQZCSC-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83077807
2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 114008342
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
4-fluoro-5-methoxy-1-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63597655
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 62991499
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
2-N-[3-(diethylamino)propyl]-3,4-difluorobenzene-1,2-diamine
CID 62531613
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine (CID 62531809) is 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine is Nc1ccc(F)c(F)c1NCCc1ccncc1.
What is the InChIKey of 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine?
The InChIKey is VMOGLXDJHQZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c14-10-1-2-11(16)13(12(10)15)18-8-5-9-3-6-17-7-4-9/h1-4,6-7,18H,5,8,16H2.
What are the key properties of 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine?
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine has a molecular weight of 249.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 62531809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).