(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine

C12H16FNO — CID 97358584

IUPAC(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1ccc(N[C@H]2CCO[C@@H]2C)c(F)c1
InChIInChI=1S/C12H16FNO/c1-8-3-4-12(10(13)7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11+/m1/s1
InChIKeyJQUFSRUUXPGZOY-KOLCDFICSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds2

About (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine

(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine (PubChem CID 97358584) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
PubChem CID97358584
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1ccc(N[C@H]2CCO[C@@H]2C)c(F)c1
InChIInChI=1S/C12H16FNO/c1-8-3-4-12(10(13)7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11+/m1/s1
InChIKeyJQUFSRUUXPGZOY-KOLCDFICSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine (CID 97358584) is (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine is Cc1ccc(N[C@H]2CCO[C@@H]2C)c(F)c1.
What is the InChIKey of (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine?
The InChIKey is JQUFSRUUXPGZOY-KOLCDFICSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-3-4-12(10(13)7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine?
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine has a molecular weight of 209.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).