(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine

C11H14FNO — CID 170249087

IUPAC(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine
SMILESCc1ccc([C@H](N)C2COC2)cc1F
InChIInChI=1S/C11H14FNO/c1-7-2-3-8(4-10(7)12)11(13)9-5-14-6-9/h2-4,9,11H,5-6,13H2,1H3/t11-/m0/s1
InChIKeyGUDZKDMKHCYZBD-NSHDSACASA-N
MW195.24 g/mol
LogP1.78
Rot. Bonds2

About (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine

(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine (PubChem CID 170249087) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine.

Molecular Properties

Compound Name(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine
PubChem CID170249087
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine
SMILESCc1ccc([C@H](N)C2COC2)cc1F
InChIInChI=1S/C11H14FNO/c1-7-2-3-8(4-10(7)12)11(13)9-5-14-6-9/h2-4,9,11H,5-6,13H2,1H3/t11-/m0/s1
InChIKeyGUDZKDMKHCYZBD-NSHDSACASA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine?
The IUPAC name of (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine (CID 170249087) is (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine.
What is the SMILES notation for (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine?
The canonical SMILES for (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine is Cc1ccc([C@H](N)C2COC2)cc1F.
What is the InChIKey of (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine?
The InChIKey is GUDZKDMKHCYZBD-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-2-3-8(4-10(7)12)11(13)9-5-14-6-9/h2-4,9,11H,5-6,13H2,1H3/t11-/m0/s1.
What are the key properties of (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine?
(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine has a molecular weight of 195.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine is sourced from PubChem (CID 170249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).