[2-(4-fluorophenyl)azetidin-2-yl]methanamine

C10H13FN2 — CID 115059268

IUPAC[2-(4-fluorophenyl)azetidin-2-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCN1
InChIInChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10(7-12)5-6-13-10/h1-4,13H,5-7,12H2
InChIKeyOIYSHTCLSVAFET-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.97
Rot. Bonds2

About [2-(4-fluorophenyl)azetidin-2-yl]methanamine

[2-(4-fluorophenyl)azetidin-2-yl]methanamine (PubChem CID 115059268) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is [2-(4-fluorophenyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)azetidin-2-yl]methanamine
PubChem CID115059268
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name[2-(4-fluorophenyl)azetidin-2-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCN1
InChIInChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10(7-12)5-6-13-10/h1-4,13H,5-7,12H2
InChIKeyOIYSHTCLSVAFET-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine
CID 115059333
tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191
2-(2-phenylazetidin-2-yl)ethanamine
CID 115059318
[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
CID 115058723
1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
CID 142989698
[1-(4-fluorophenoxy)cyclopropyl]methanamine
CID 83920748
1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
CID 84723635
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
[1-(4-fluorophenyl)cyclopropyl]phosphane
CID 176989179

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)azetidin-2-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)azetidin-2-yl]methanamine (CID 115059268) is [2-(4-fluorophenyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)azetidin-2-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)azetidin-2-yl]methanamine is NCC1(c2ccc(F)cc2)CCN1.
What is the InChIKey of [2-(4-fluorophenyl)azetidin-2-yl]methanamine?
The InChIKey is OIYSHTCLSVAFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10(7-12)5-6-13-10/h1-4,13H,5-7,12H2.
What are the key properties of [2-(4-fluorophenyl)azetidin-2-yl]methanamine?
[2-(4-fluorophenyl)azetidin-2-yl]methanamine has a molecular weight of 180.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 115059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).