(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine

C12H16FNO — CID 95335747

IUPAC(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
SMILESCN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12+/m0/s1
InChIKeyNXQJSVOBTWNAFS-NWDGAFQWSA-N
MW209.26 g/mol
LogP2.27
Rot. Bonds2

About (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine

(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine (PubChem CID 95335747) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
PubChem CID95335747
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
SMILESCN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12+/m0/s1
InChIKeyNXQJSVOBTWNAFS-NWDGAFQWSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The IUPAC name of (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine (CID 95335747) is (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine.
What is the SMILES notation for (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The canonical SMILES for (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine is CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The InChIKey is NXQJSVOBTWNAFS-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine?
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine has a molecular weight of 209.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 95335747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).