2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine

C13H18FNO — CID 116869440

IUPAC2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1cc(C2(C(C)(C)N)COC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(4-5-11(9)14)13(7-16-8-13)12(2,3)15/h4-6H,7-8,15H2,1-3H3
InChIKeyRGORHRLODYHRJO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds2

About 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine

2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine (PubChem CID 116869440) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
PubChem CID116869440
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1cc(C2(C(C)(C)N)COC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(4-5-11(9)14)13(7-16-8-13)12(2,3)15/h4-6H,7-8,15H2,1-3H3
InChIKeyRGORHRLODYHRJO-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869497
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872182
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
CID 116869514
2-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873657
1-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropan-2-amine
CID 116869998
1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086228
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
CID 137319852

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine (CID 116869440) is 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine is Cc1cc(C2(C(C)(C)N)COC2)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine?
The InChIKey is RGORHRLODYHRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-10(4-5-11(9)14)13(7-16-8-13)12(2,3)15/h4-6H,7-8,15H2,1-3H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine?
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).