N-(2-fluoro-4-methylphenyl)oxetan-3-amine

C10H12FNO — CID 63622533

IUPACN-(2-fluoro-4-methylphenyl)oxetan-3-amine
SMILESCc1ccc(NC2COC2)c(F)c1
InChIInChI=1S/C10H12FNO/c1-7-2-3-10(9(11)4-7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyOUSAYYDEBGRCRS-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.94
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)oxetan-3-amine

N-(2-fluoro-4-methylphenyl)oxetan-3-amine (PubChem CID 63622533) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)oxetan-3-amine
PubChem CID63622533
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-(2-fluoro-4-methylphenyl)oxetan-3-amine
SMILESCc1ccc(NC2COC2)c(F)c1
InChIInChI=1S/C10H12FNO/c1-7-2-3-10(9(11)4-7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyOUSAYYDEBGRCRS-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)oxetan-3-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)oxetan-3-amine (CID 63622533) is N-(2-fluoro-4-methylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)oxetan-3-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)oxetan-3-amine is Cc1ccc(NC2COC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)oxetan-3-amine?
The InChIKey is OUSAYYDEBGRCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-2-3-10(9(11)4-7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)oxetan-3-amine?
N-(2-fluoro-4-methylphenyl)oxetan-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)oxetan-3-amine is sourced from PubChem (CID 63622533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).