3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine

C13H12F2N2 — CID 82924582

IUPAC3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2/c14-11-6-4-9(8-12(11)15)3-5-10-2-1-7-17-13(10)16/h1-2,4,6-8H,3,5H2,(H2,16,17)
InChIKeyDOGZQODQSNYEHG-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.73
Rot. Bonds3

About 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine

3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine (PubChem CID 82924582) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine
PubChem CID82924582
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2/c14-11-6-4-9(8-12(11)15)3-5-10-2-1-7-17-13(10)16/h1-2,4,6-8H,3,5H2,(H2,16,17)
InChIKeyDOGZQODQSNYEHG-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,6-difluorophenyl)ethyl]pyridin-2-amine
CID 114934293
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655
3-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 163672199
ethane;3-propylpyridin-2-amine
CID 176926436
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 107560925
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
CID 104811394
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine (CID 82924582) is 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine is Nc1ncccc1CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is DOGZQODQSNYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-11-6-4-9(8-12(11)15)3-5-10-2-1-7-17-13(10)16/h1-2,4,6-8H,3,5H2,(H2,16,17).
What are the key properties of 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine?
3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 234.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 82924582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).