(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine

C13H18FNO — CID 141320535

IUPAC(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine
SMILESC[C@@H]1CC(Nc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C13H18FNO/c1-9-7-13(8-10(2)16-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3/t9-,10+,13?
InChIKeyBQKLKIVQLWDMOE-HWYHXSKPSA-N
MW223.29 g/mol
LogP3.19
Rot. Bonds2

About (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine

(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine (PubChem CID 141320535) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Name(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine
PubChem CID141320535
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine
SMILESC[C@@H]1CC(Nc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C13H18FNO/c1-9-7-13(8-10(2)16-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3/t9-,10+,13?
InChIKeyBQKLKIVQLWDMOE-HWYHXSKPSA-N
XLogP3.19
TPSA21.26 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 43608420
CID 43608420
CID 15403847
CID 15403847
CID 2851809
CID 2851809
CID 22361236
CID 22361236
CID 25219450
CID 25219450
CID 53439352
CID 53439352
CID 75525398
CID 75525398
CID 12079734
CID 12079734
CID 43194688
CID 43194688
CID 46187197
CID 46187197
CID 59052728
CID 59052728
CID 61714933
CID 61714933

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine (CID 141320535) is (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine is C[C@@H]1CC(Nc2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine?
The InChIKey is BQKLKIVQLWDMOE-HWYHXSKPSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-13(8-10(2)16-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3/t9-,10+,13?.
What are the key properties of (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine?
(2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine has a molecular weight of 223.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-(4-fluorophenyl)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 141320535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).