N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine

C14H14F2N2 — CID 133492320

IUPACN-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C14H14F2N2/c1-10-8-13(5-7-17-10)18-6-4-11-9-12(15)2-3-14(11)16/h2-3,5,7-9H,4,6H2,1H3,(H,17,18)
InChIKeyLQQQDYFDRBZUIM-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine

N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine (PubChem CID 133492320) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
PubChem CID133492320
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C14H14F2N2/c1-10-8-13(5-7-17-10)18-6-4-11-9-12(15)2-3-14(11)16/h2-3,5,7-9H,4,6H2,1H3,(H,17,18)
InChIKeyLQQQDYFDRBZUIM-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115126121
4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 71865628
N-[2-(2,5-difluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111573054
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71981705
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine (CID 133492320) is N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine is Cc1cc(NCCc2cc(F)ccc2F)ccn1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine?
The InChIKey is LQQQDYFDRBZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10-8-13(5-7-17-10)18-6-4-11-9-12(15)2-3-14(11)16/h2-3,5,7-9H,4,6H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine?
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine has a molecular weight of 248.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 133492320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).