1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine

C11H14F2N2 — CID 171785009

IUPAC1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine
SMILESNC1CN(CCc2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-1-2-11(13)8(5-9)3-4-15-6-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2
InChIKeyXDXWILGVKBUIHO-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.15
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine

1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine (PubChem CID 171785009) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine
PubChem CID171785009
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine
SMILESNC1CN(CCc2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-1-2-11(13)8(5-9)3-4-15-6-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2
InChIKeyXDXWILGVKBUIHO-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1,4-difluoro-2-(2-iodoethyl)benzene
CID 147661564
4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
(6S)-1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 125003893
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine (CID 171785009) is 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine is NC1CN(CCc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine?
The InChIKey is XDXWILGVKBUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-9-1-2-11(13)8(5-9)3-4-15-6-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2.
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine?
1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine has a molecular weight of 212.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 171785009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).